KEGG   COMPOUND: C14767Help
Entry
C14767                      Compound                               

Name
9(S)-HODE;
(9S)-Hydroxyoctadecadienoic acid;
(10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid
Formula
C18H32O3
Exact mass
296.2351
Mol weight
296.4449
Structure
Mol fileKCF fileDB search
Pathway
map00591  Linoleic acid metabolism
map03320  PPAR signaling pathway
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14767  (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid
BRITE hierarchy
Other DBs
CAS: 73543-67-6
PubChem: 17395765
ChEBI: 34496
ChEMBL: CHEMBL1230670
LIPIDMAPS: LMFA02000036 LMFA02000188 LMFA02000231
LipidBank: DFA8022
PDB-CCD: 9HO[PDBj]
NIKKAJI: J365.920H
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1b C    19.5050  -16.4800
            2   C1b C    20.7235  -17.1773
            3   C1b C    18.2803  -17.1835
            4   C1c C    21.9486  -16.4737
            5   C1b C    17.0616  -16.4863
            6   C2b C    23.1436  -17.1098
            7   C1b C    15.8429  -17.1898
            8   C2b C    24.3809  -16.5035
            9   C1b C    14.6244  -16.4925
            10  C2b C    25.7408  -17.0722
            11  C1b C    13.3997  -17.1960
            12  C2b C    27.2186  -17.0722
            13  C6a C    12.1809  -16.4990
            14  C1b C    28.4559  -16.4013
            15  O6a O    10.9561  -17.2024
            16  O6a O    12.1746  -15.0980
            17  C1b C    29.6493  -17.0092
            18  C1b C    30.8869  -16.3262
            19  C1b C    32.0803  -16.9338
            20  C1a C    33.3176  -16.3214
            21  O1a O    22.0096  -14.8326
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    4  21 1 #Down

» Japanese version

KEGG   COMPOUND: C14762Help
Entry
C14762                      Compound                               

Name
13(S)-HODE;
(13S)-Hydroxyoctadecadienoic acid;
(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
Formula
C18H32O3
Exact mass
296.2351
Mol weight
296.4449
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00591  Linoleic acid metabolism
map03320  PPAR signaling pathway
Enzyme
1.1.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0200 Other Octadecanoids
    C14762  (9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid
BRITE hierarchy
Other DBs
PubChem: 17395760
ChEBI: 34154
ChEMBL: CHEMBL451721
LIPIDMAPS: LMFA02000035 LMFA02000154 LMFA02000228 LMFA02000236
LipidBank: DFA8023
PDB-CCD: 243[PDBj]
NIKKAJI: J425.680H
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1b C    19.4712  -16.5236
            2   C1b C    20.6843  -17.2179
            3   C1b C    18.2516  -17.2241
            4   C2b C    21.9041  -16.5174
            5   C1b C    17.0383  -16.5299
            6   C2b C    23.3050  -16.5174
            7   C1b C    15.8249  -17.2304
            8   C2b C    24.5370  -17.1803
            9   C1b C    14.6117  -16.5361
            10  C2b C    25.7502  -16.4799
            11  C1b C    13.3922  -17.2366
            12  C1c C    27.1513  -16.4799
            13  C6a C    12.1788  -16.5425
            14  C1b C    28.3833  -17.1490
            15  O6a O    10.9593  -17.2429
            16  O6a O    12.1725  -15.1477
            17  C1b C    29.5715  -16.4173
            18  C1b C    30.8037  -17.0741
            19  C1b C    31.9919  -16.3422
            20  C1a C    33.2239  -16.9990
            21  O1a O    27.5036  -14.2528
BOND        20
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 2
            10    9  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   12  21 1 #Up

» Japanese version

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