KEGG   COMPOUND: C05956
Entry
C05956                      Compound                               

Name
Prostaglandin G2;
PGG2
Formula
C20H32O6
Exact mass
368.2199
Mol weight
368.4645
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04611  Platelet activation
map04726  Serotonergic synapse
map07034  Eicosanoids
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C05956  Prostaglandin G2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C05956  Prostaglandin G2
Other DBs
CAS: 51982-36-6
PubChem: 8240
ChEBI: 27647
LIPIDMAPS: LMFA03010009
LipidBank: XPR1601
PDB-CCD: PGX[PDBj]
3DMET: B01930
NIKKAJI: J10.404C
LinkDB
KCF data

ATOM        26
            1   C1y C    22.0797  -15.8003
            2   C1y C    22.0156  -14.4473
            3   C1y C    20.8130  -16.2206
            4   C2b C    23.2544  -16.4741
            5   C1y C    20.7958  -14.0327
            6   C1b C    23.4732  -13.2208
            7   C1x C    20.0070  -15.1324
            8   O2x O    19.4656  -16.2149
            9   C2b C    24.4233  -15.8003
            10  O2x O    19.4484  -14.0327
            11  C2b C    24.6420  -13.9002
            12  C1c C    25.5921  -16.4741
            13  C2b C    25.9779  -13.9002
            14  C1b C    26.7610  -15.8003
            15  O2a O    25.5921  -17.8271
            16  C1b C    27.1411  -13.2208
            17  C1b C    27.9356  -16.4741
            18  O1a O    26.7610  -18.4950
            19  C1b C    28.3041  -13.8887
            20  C1b C    29.1103  -15.8003
            21  C1b C    29.4614  -13.2150
            22  C1b C    30.2733  -16.4741
            23  C6a C    30.6303  -13.8714
            24  C1a C    31.4480  -15.8003
            25  O6a O    31.8165  -13.1747
            26  O6a O    30.6418  -15.2533
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 2
            9     5  10 1 #Down
            10    6  11 1
            11    9  12 1
            12   11  13 2
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 1
            19   17  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   23  26 2
            26    5   7 1
            27    8  10 1

» Japanese version

KEGG   COMPOUND: C00427
Entry
C00427                      Compound                               

Name
Prostaglandin H2;
(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate;
(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate;
PGH2;
(5Z,9alpha,11alpha,13E,15S)-9,11-Epidioxy-15-hydroxy-prosta-5,13-dienoate
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04611  Platelet activation
map04723  Retrograde endocannabinoid signaling
map04726  Serotonergic synapse
map04921  Oxytocin signaling pathway
map07034  Eicosanoids
map07035  Prostaglandins
Enzyme
1.1.1.-         1.11.1.20       1.14.99.1       5.3.99.2        
5.3.99.3        5.3.99.4        5.3.99.5
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00427  Prostaglandin H2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00427  Prostaglandin H2
Other DBs
CAS: 42935-17-1
PubChem: 3717
ChEBI: 15554
ChEMBL: CHEMBL1743209 CHEMBL2074582
LIPIDMAPS: LMFA03010010
LipidBank: XPR1798
3DMET: B01243
NIKKAJI: J16.429A
LinkDB
KCF data

ATOM        25
            1   C1y C    22.0683  -14.7876
            2   C1y C    22.0626  -16.1406
            3   C1y C    20.7794  -14.3736
            4   C1b C    23.4504  -13.5629
            5   C1y C    20.7911  -16.5665
            6   C2b C    23.2348  -16.8114
            7   C1x C    19.9921  -15.4758
            8   O2x O    19.4381  -14.3736
            9   C2b C    24.6110  -14.2452
            10  O2x O    19.4497  -16.5605
            11  C2b C    24.4011  -16.1406
            12  C2b C    25.9466  -14.2452
            13  C1c C    25.5676  -16.8114
            14  C1b C    27.1071  -13.5629
            15  C1b C    26.7339  -16.1406
            16  O1a O    25.5676  -18.1585
            17  C1b C    28.2677  -14.2335
            18  C1b C    27.9003  -16.8114
            19  C1b C    29.4282  -13.5570
            20  C1b C    29.0783  -16.1406
            21  C6a C    30.5888  -14.2219
            22  C1b C    30.2331  -16.8114
            23  O6a O    31.7786  -13.5163
            24  O6a O    30.6005  -15.5925
            25  C1a C    31.4111  -16.1406
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1
            26    8  10 1

» Japanese version

KEGG   COMPOUND: C00584
Entry
C00584                      Compound                               

Name
Prostaglandin E2;
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate;
(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate;
Dinoprostone;
PGE2
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Remark
Same as: D00079
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04024  cAMP signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04625  C-type lectin receptor signaling pathway
map04726  Serotonergic synapse
map04750  Inflammatory mediator regulation of TRP channels
map04921  Oxytocin signaling pathway
map04923  Regulation of lipolysis in adipocytes
map04924  Renin secretion
map04976  Bile secretion
map05140  Leishmaniasis
map05143  African trypanosomiasis
map05146  Amoebiasis
map05163  Human cytomegalovirus infection
map05165  Human papillomavirus infection
map05200  Pathways in cancer
map05323  Rheumatoid arthritis
Enzyme
1.1.1.141       1.1.1.184       1.1.1.189       5.3.99.3
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00584  Prostaglandin E2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00584  Prostaglandin E2
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD02 Dinoprostone
      D00079  Dinoprostone (JAN/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00079  Dinoprostone (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGER2
     D00079  Dinoprostone (JAN/USP/INN) <JP/US>
Other DBs
CAS: 363-24-6
PubChem: 3863
ChEBI: 15551
ChEMBL: CHEMBL548
LIPIDMAPS: LMFA03010003 LMFA03010008
LipidBank: XPR1401
PDB-CCD: P2E[PDBj]
3DMET: B01290
NIKKAJI: J9.243F
LinkDB
KCF data

ATOM        25
            1   C1y C    26.1950  -14.5606
            2   C1y C    26.1891  -15.9477
            3   C5x C    24.8718  -14.1409
            4   C1b C    27.6054  -13.1091
            5   C1y C    24.8951  -16.3732
            6   C2b C    27.3839  -16.8396
            7   C1x C    24.0733  -15.2657
            8   O5x O    24.4289  -12.7946
            9   C2b C    28.7943  -13.8085
            10  O1a O    24.4580  -17.7313
            11  C2b C    28.5729  -16.1577
            12  C2b C    30.1524  -13.8085
            13  C1c C    29.7561  -16.8396
            14  C1b C    31.3356  -13.1091
            15  C1b C    30.9509  -16.1577
            16  O1a O    29.7561  -18.2151
            17  C1b C    32.5128  -13.7911
            18  C1b C    32.1398  -16.8396
            19  C1b C    33.7019  -13.1034
            20  C1b C    33.3462  -16.1577
            21  C6a C    34.8850  -13.7794
            22  C1b C    34.5236  -16.8396
            23  O6a O    36.1031  -13.0625
            24  O6a O    34.8267  -15.1781
            25  C1a C    35.7242  -16.1577
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1

» Japanese version

KEGG   COMPOUND: C05953
Entry
C05953                      Compound                               

Name
Prostaglandin A2;
PGA2;
Medullin
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C05953  Prostaglandin A2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C05953  Prostaglandin A2
Other DBs
PubChem: 8237
ChEBI: 27820
ChEMBL: CHEMBL1084643
LIPIDMAPS: LMFA03010035 LMFA03010100
LipidBank: XPR1001
PDB-CCD: 8SU[PDBj]
3DMET: B01927
NIKKAJI: J15.713I
LinkDB
KCF data

ATOM        24
            1   C1y C    21.7541  -14.9952
            2   C1y C    21.7720  -16.3920
            3   C5x C    20.5199  -14.5142
            4   C1b C    23.0239  -13.8592
            5   C2x C    20.4273  -16.7571
            6   C2b C    22.9775  -17.0701
            7   C2x C    19.6563  -15.5980
            8   O5x O    20.1549  -13.1520
            9   C2b C    24.2294  -14.5547
            10  C2b C    24.1773  -16.3747
            11  C2b C    25.6147  -14.5488
            12  C1c C    25.3827  -17.0527
            13  C1b C    26.8145  -13.8476
            14  C1b C    26.5768  -16.3631
            15  O1a O    25.3770  -18.4554
            16  C1b C    28.0200  -14.5372
            17  C1b C    27.7766  -17.0470
            18  C1b C    29.2140  -13.8360
            19  C1b C    28.9821  -16.3572
            20  C6a C    30.4195  -14.5199
            21  C1b C    30.1877  -17.0411
            22  O6a O    31.6134  -13.8187
            23  O6a O    30.4252  -15.9051
            24  C1a C    31.3932  -16.3456
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 2
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24    5   7 2

» Japanese version

KEGG   COMPOUND: C05955
Entry
C05955                      Compound                               

Name
Prostaglandin C2;
PGC2
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C05955  Prostaglandin C2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C05955  Prostaglandin C2
Other DBs
PubChem: 8239
ChEBI: 27555
LIPIDMAPS: LMFA03010133
LipidBank: XPR1201
3DMET: B01929
NIKKAJI: J10.364K
LinkDB
KCF data

ATOM        24
            1   C1y C    21.7611  -15.0010
            2   C2y C    21.7726  -16.4052
            3   C5x C    20.5145  -14.5153
            4   C1b C    22.9955  -14.0590
            5   C2x C    20.4210  -16.7681
            6   C2b C    22.9838  -17.0783
            7   C1x C    19.6486  -15.6037
            8   O5x O    20.1459  -13.1520
            9   C2b C    24.2125  -14.7435
            10  C2b C    24.2593  -16.3526
            11  C2b C    25.5994  -14.7378
            12  C1c C    25.3946  -17.0666
            13  C1b C    26.7989  -14.0355
            14  C1b C    26.5998  -16.3761
            15  O1a O    25.3886  -18.4708
            16  C1b C    28.0159  -14.7261
            17  C1b C    27.8112  -17.0606
            18  C1b C    29.2154  -14.0179
            19  C1b C    29.0224  -16.3643
            20  C6a C    30.4267  -14.7144
            21  C1b C    30.2219  -17.0549
            22  O6a O    31.6263  -14.0062
            23  O6a O    30.4327  -16.1069
            24  C1a C    31.4331  -16.3584
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 2
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24    5   7 1

» Japanese version

KEGG   COMPOUND: C05954
Entry
C05954                      Compound                               

Name
Prostaglandin B2;
PGB2
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C05954  Prostaglandin B2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C05954  Prostaglandin B2
Other DBs
CAS: 13367-85-6
PubChem: 8238
ChEBI: 28099
ChEMBL: CHEMBL1901620
LIPIDMAPS: LMFA03010018
LipidBank: XPR1101
3DMET: B01928
NIKKAJI: J16.062H
LinkDB
KCF data

ATOM        24
            1   C2y C    21.8555  -15.0031
            2   C2y C    21.8728  -16.4037
            3   C5x C    20.5481  -14.5187
            4   C1b C    22.9528  -13.8591
            5   C1x C    20.4488  -16.7656
            6   C2b C    23.0052  -17.0808
            7   C1x C    19.6842  -15.6041
            8   O5x O    20.1803  -13.1587
            9   C2b C    24.1609  -14.5361
            10  C2b C    24.2835  -16.3572
            11  C2b C    25.5441  -14.5361
            12  C1c C    25.4099  -17.0691
            13  C1b C    26.7463  -13.8300
            14  C1b C    26.6180  -16.3746
            15  O1a O    25.4040  -18.4699
            16  C1b C    27.9545  -14.5187
            17  C1b C    27.8262  -17.0576
            18  C1b C    29.1569  -13.8183
            19  C1b C    29.0284  -16.3689
            20  C6a C    30.3591  -14.5070
            21  C1b C    30.2308  -17.0516
            22  O6a O    31.5616  -13.8007
            23  O6a O    30.3708  -15.8959
            24  C1a C    31.4331  -16.3629
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 2
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24    5   7 1

» Japanese version

KEGG   COMPOUND: C00639
Entry
C00639                      Compound                               

Name
Prostaglandin F2alpha;
(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate;
(+)-Prostaglandin F2a;
7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid;
9a,11a-PGF2;
Amoglandin;
Cyclosin;
Dinoprost;
Enzaprost;
Enzaprost F;
Panacelan;
PGF2a;
9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid;
Prostaglandin F2a;
Prostin F 2 alpha;
Protamodin;
U 14583;
(5Z,9alpha,11alpha,13E,15S)-9,11,15-Trihydroxyprosta-5,13-dienoate
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Remark
Same as: D00081
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04072  Phospholipase D signaling pathway
map04080  Neuroactive ligand-receptor interaction
map04726  Serotonergic synapse
map04913  Ovarian steroidogenesis
map04921  Oxytocin signaling pathway
map04976  Bile secretion
Enzyme
1.1.1.141       1.1.1.184       1.1.1.188       1.1.1.189       
1.1.1.196       1.1.1.-         1.11.1.20
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00639  Prostaglandin F2alpha
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00639  Prostaglandin F2alpha
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02A UTEROTONICS
    G02AD Prostaglandins
     G02AD01 Dinoprost
      D00081  Dinoprost (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   249  Miscellaneous
    2499  Others
     D00081  Dinoprost (JP17/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostaglandin
    PTGFR
     D00081  Dinoprost (JP17/USAN/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00081  Dinoprost
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9419  Other hormone preparations
    C00639  Dinoprost
Other DBs
CAS: 551-11-1
PubChem: 3912
ChEBI: 15553
ChEMBL: CHEMBL1903583 CHEMBL815
LIPIDMAPS: LMFA03010002 LMFA03010077
LipidBank: XPR1501
3DMET: B01297
NIKKAJI: J9.246K
LinkDB
KCF data

ATOM        25
            1   C1y C    26.2679  -14.3734
            2   C1y C    26.2619  -15.7447
            3   C1y C    24.9657  -13.9586
            4   C1b C    27.6563  -13.1462
            5   C1y C    24.9829  -16.1653
            6   C2b C    27.6507  -16.8339
            7   C1x C    24.1706  -15.0705
            8   O1a O    24.5221  -12.6278
            9   C2b C    28.8317  -13.8376
            10  O1a O    24.5508  -17.5078
            11  C2b C    28.8261  -16.1598
            12  C2b C    30.1799  -13.8376
            13  C1c C    30.0014  -16.8339
            14  C1b C    31.3495  -13.1462
            15  C1b C    31.1768  -16.1598
            16  O1a O    30.0014  -18.1936
            17  C1b C    32.5133  -13.8204
            18  C1b C    32.3521  -16.8339
            19  C1b C    33.6887  -13.1406
            20  C1b C    33.5447  -16.1598
            21  C6a C    34.8583  -13.8089
            22  C1b C    34.7027  -16.8339
            23  O6a O    36.0566  -13.1001
            24  O6a O    34.8698  -15.1915
            25  C1a C    35.8954  -16.1598
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1 #Down
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1

» Japanese version

KEGG   COMPOUND: C00696
Entry
C00696                      Compound                               

Name
Prostaglandin D2;
(5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate;
(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate;
PGD2
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04664  Fc epsilon RI signaling pathway
map04726  Serotonergic synapse
map05143  African trypanosomiasis
map05310  Asthma
Enzyme
1.1.1.188       1.1.1.196       5.3.99.2
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C00696  Prostaglandin D2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C00696  Prostaglandin D2
Other DBs
CAS: 41598-07-6
PubChem: 3964
ChEBI: 15555
ChEMBL: CHEMBL1235252 CHEMBL165001
LIPIDMAPS: LMFA03010004 LMFA03010007
LipidBank: XPR1301
PDB-CCD: PG2[PDBj]
3DMET: B01315
NIKKAJI: J16.416J
LinkDB
KCF data

ATOM        25
            1   C1y C    21.7790  -14.9846
            2   C1y C    21.7970  -16.3802
            3   C1y C    20.5462  -14.5040
            4   C1b C    23.0189  -13.8554
            5   C5x C    20.4476  -16.7508
            6   C2b C    22.9957  -17.0694
            7   C1x C    19.6774  -15.5927
            8   O1a O    20.1639  -13.1489
            9   C2b C    24.2581  -14.4633
            10  O5x O    19.9554  -18.0711
            11  C2b C    24.1944  -16.3686
            12  C2b C    25.6422  -14.4633
            13  C1c C    25.3989  -17.0462
            14  C1b C    26.8408  -13.7627
            15  C1b C    26.5976  -16.3513
            16  O1a O    25.3932  -18.4534
            17  C1b C    28.0454  -14.4576
            18  C1b C    27.8080  -17.0403
            19  C1b C    29.2383  -13.7511
            20  C1b C    29.0010  -16.3454
            21  C6a C    30.4429  -14.4460
            22  C1b C    30.1996  -17.0346
            23  O6a O    31.6416  -13.7395
            24  O6a O    30.4545  -15.8300
            25  C1a C    31.4042  -16.3397
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 2
            10    6  11 2
            11    9  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    5   7 1

» Japanese version

KEGG   COMPOUND: C05957
Entry
C05957                      Compound                               

Name
Prostaglandin J2;
PGJ2
Formula
C20H30O4
Exact mass
334.2144
Mol weight
334.4498
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Prostaglandins
    C05957  Prostaglandin J2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0301 Prostaglandins
    C05957  Prostaglandin J2
Other DBs
CAS: 60203-57-8
PubChem: 8241
ChEBI: 27485
ChEMBL: CHEMBL1397260 CHEMBL353489
LIPIDMAPS: LMFA03010019
LipidBank: XPR1901
3DMET: B01931
NIKKAJI: J39.531E
LinkDB
KCF data

ATOM        24
            1   C1y C    21.7807  -16.1401
            2   C1y C    21.7690  -14.7418
            3   C5x C    20.4350  -16.5128
            4   C2b C    22.9867  -16.8216
            5   C2x C    20.5281  -14.2583
            6   C1b C    23.0041  -13.6115
            7   C2x C    19.6600  -15.3477
            8   O5x O    19.9339  -17.8296
            9   C2b C    24.1811  -16.1284
            10  C2b C    24.2451  -14.2233
            11  C1c C    25.3871  -16.8042
            12  C2b C    25.6317  -14.2174
            13  C1b C    26.5814  -16.1108
            14  O1a O    25.3754  -18.2082
            15  C1b C    26.8261  -13.5241
            16  C1b C    27.7931  -16.7983
            17  C1b C    28.0321  -14.2116
            18  C1b C    28.9991  -16.1051
            19  C1b C    29.2264  -13.5066
            20  C1b C    30.1935  -16.7867
            21  C6a C    30.4381  -14.2000
            22  C1a C    31.3995  -16.0992
            23  O6a O    31.6384  -13.4949
            24  O6a O    30.4498  -15.5866
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 2
            8     4   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 1
            13   11  14 1 #Down
            14   12  15 1
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24    5   7 2

» Japanese version

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