KEGG   COMPOUND: C02198
Entry
C02198                      Compound                               

Name
Thromboxane A2;
(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate;
(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid;
TXA2
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
map04611  Platelet activation
map04726  Serotonergic synapse
map07034  Eicosanoids
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C02198  Thromboxane A2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C02198  Thromboxane A2
Other DBs
CAS: 57576-52-0
PubChem: 5266
ChEBI: 15627
ChEMBL: CHEMBL157628
LIPIDMAPS: LMFA03030001 LMFA03030015
LipidBank: XPR2001
3DMET: B01544
NIKKAJI: J40.890E
LinkDB
KCF data

ATOM        25
            1   C1y C    13.3808  -12.8019
            2   C1y C    14.5810  -13.4905
            3   C1x C    12.1870  -13.4905
            4   O2x O    13.3746  -14.1853
            5   C1y C    14.5810  -14.8801
            6   C1b C    15.7875  -12.7830
            7   C1y C    12.1870  -14.8801
            8   O2x O    13.3808  -15.5812
            9   C2b C    15.7939  -15.5749
            10  C2b C    17.0003  -13.4778
            11  C2b C    17.0066  -14.8548
            12  C2b C    18.3711  -13.5414
            13  C1c C    18.2068  -15.5244
            14  C1b C    19.5902  -12.7513
            15  C1b C    19.3817  -14.8169
            16  O1a O    18.2259  -16.8951
            17  C1b C    20.7904  -13.4335
            18  C1b C    20.5820  -15.4865
            19  C1b C    21.9716  -12.7325
            20  C1b C    21.7631  -14.7790
            21  C6a C    23.1654  -13.4146
            22  C1b C    23.2348  -15.5244
            23  O6a O    24.3530  -12.7134
            24  O6a O    23.1845  -14.7032
            25  C1a C    24.6626  -14.7601
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1
            10    9  11 2
            11   10  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    7   4 1 #Down
            26    7   8 1

» Japanese version

KEGG   COMPOUND: C05963
Entry
C05963                      Compound                               

Name
Thromboxane B2;
TXB2
Formula
C20H34O6
Exact mass
370.2355
Mol weight
370.4804
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
map04976  Bile secretion
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C05963  Thromboxane B2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C05963  Thromboxane B2
Other DBs
CAS: 54397-85-2
PubChem: 8247
ChEBI: 28728
ChEMBL: CHEMBL1552426
LIPIDMAPS: LMFA03030002 LMFA03030010
LipidBank: XPR2101
3DMET: B01937
NIKKAJI: J37.201C
LinkDB
KCF data

ATOM        26
            1   C1y C    22.6072  -17.2432
            2   C1y C    22.5955  -18.6416
            3   C1y C    21.3952  -16.5323
            4   C1b C    23.8192  -16.5381
            5   O2x O    21.3719  -19.3409
            6   C2b C    23.8018  -19.3409
            7   C1x C    20.1714  -17.2140
            8   O1a O    21.3836  -15.1104
            9   C2b C    25.0313  -17.2432
            10  C1y C    20.1657  -18.6183
            11  C2b C    25.0138  -18.6416
            12  C2b C    26.2492  -16.5440
            13  O1a O    18.9478  -19.3176
            14  C1c C    26.2143  -19.3468
            15  C1b C    26.2376  -15.1395
            16  C1b C    27.4262  -18.6475
            17  O1a O    26.2083  -20.7454
            18  C1b C    27.4496  -14.4402
            19  C1b C    28.6384  -19.3526
            20  C1b C    27.4496  -13.0417
            21  C1b C    29.8504  -18.6592
            22  C6a C    28.6501  -12.3426
            23  C1b C    31.0509  -19.3642
            24  O6a O    28.6441  -10.9498
            25  O6a O    29.8563  -13.0359
            26  C1a C    32.2629  -18.6825
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
            10    6  11 2
            11    9  12 2
            12   10  13 1 #Down
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26    7  10 1

» Japanese version

KEGG   COMPOUND: C05964
Entry
C05964                      Compound                               

Name
11-Dehydro-thromboxane B2
Formula
C20H32O6
Exact mass
368.2199
Mol weight
368.4645
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C05964  11-Dehydro-thromboxane B2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C05964  11-Dehydro-thromboxane B2
Other DBs
CAS: 67910-12-7
PubChem: 8248
ChEBI: 28667
ChEMBL: CHEMBL1405272
LIPIDMAPS: LMFA03030004 LMFA03030014
LipidBank: XPR2121
3DMET: B01938
NIKKAJI: J265.059B
LinkDB
KCF data

ATOM        26
            1   C1y C    22.6072  -17.2432
            2   C1y C    22.5955  -18.6416
            3   C1y C    21.3952  -16.5323
            4   C1b C    23.8192  -16.5381
            5   O7x O    21.3719  -19.3409
            6   C2b C    23.8018  -19.3409
            7   C1x C    20.1714  -17.2140
            8   O1a O    21.3836  -15.1104
            9   C2b C    25.0313  -17.2432
            10  C7x C    20.1657  -18.6183
            11  C2b C    25.0138  -18.6416
            12  C2b C    26.2492  -16.5440
            13  O6a O    18.9478  -19.3176
            14  C1c C    26.2143  -19.3468
            15  C1b C    26.2376  -15.1395
            16  C1b C    27.4262  -18.6475
            17  O1a O    26.2083  -20.7454
            18  C1b C    27.4496  -14.4402
            19  C1b C    28.6384  -19.3526
            20  C1b C    27.4496  -13.0417
            21  C1b C    29.8504  -18.6592
            22  C6a C    28.6501  -12.3426
            23  C1b C    31.0509  -19.3642
            24  O6a O    28.6441  -10.9498
            25  O6a O    29.8563  -13.0359
            26  C1a C    32.2629  -18.6825
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
            10    6  11 2
            11    9  12 2
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26    7  10 1

» Japanese version

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