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(9S)-hydroperoxy-(10E,12Z,15Z)-octadecatrienoate

PropertiesImage
MNX_IDMNXM2302 Image of MNXM2302
referencechebi:60962
formulaC18H29O4
global charge-1
mol weight309.426
InChIKeyRWKJTIHNYSIIHW-MEBVTJQTSA-M
InChIInChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b4-3-,8-6-,14-11+/t17-/m1/s1
SMILESCC/C=C\C/C=C\C=C\[C@H](CCCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+/t17-/m1/s1 Image of MNXM2302
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:6]=[CH:8]\[CH:11]=[CH:14]\[C@H:17]([CH2:15][CH2:12][CH2:9][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:19])[OH:20])[O:22][OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60962
chebi:60962
RWKJTIHNYSIIHW-MEBVTJQTSA-M 		(9S)-hydroperoxy-(10E,12Z,15Z)-octadecatrienoate
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoate
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecatrienoate
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate
(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid anion
9(S)-HPOT(1-)
9(S)-HpOTrE(1-)

vmhM:M00078
vmhmetabolite:M00078
RWKJTIHNYSIIHW-MEBVTJQTSA-N 		(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid

SLM:000597690
slm:000597690
RWKJTIHNYSIIHW-MEBVTJQTSA-M 		(9S)-hydroperoxy-(10E,12Z,15Z)-octadecatrienoate

CHEBI:60961
chebi:60961
RWKJTIHNYSIIHW-MEBVTJQTSA-N 		(9S,10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
(10E,12Z,15Z)-(9S)-9-hydroperoxyoctadeca-10,12,15-trienoic acid
9(S)-HPOT
9(S)-HPOTE
9(S)-HpOTrE

seed.compound:cpd15037
seedM:cpd15037
RWKJTIHNYSIIHW-MEBVTJQTSA-M 		9(S)-HPOT
(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate
(9S,10E,12Z,15Z)-9-hydroperoxy-10,12,15-octadecadienoate
9(S)-HPOTE
9(S)-HpOTrE
9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate
9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid
9-HPOT

kegg.compound:C16321
keggC:C16321
RWKJTIHNYSIIHW-MEBVTJQTSA-N 		9(S)-HPOT
(10E,12Z,15Z)-(9S)-9-Hydroperoxyoctadeca-10,12,15-trienoic acid
(9S,10E,12Z,15Z)-9-Hydroperoxy-10,12,15-octadecatrienoate
9(S)-HpOTrE

metacyc.compound:CPD-8678
metacycM:CPD-8678
RWKJTIHNYSIIHW-MEBVTJQTSA-M 		9(S)-HpOTre
9(S)-HPOTE
9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoate
9(S)-hydroperoxy-10(E),12(Z),15(Z)-octadecatrienoic acid

lipidmaps:LMFA02000018
lipidmapsM:LMFA02000018
RWKJTIHNYSIIHW-MEBVTJQTSA-N 		9S-HpOTrE
9S-hydroperoxy-10E,12Z,15Z-octadecatrienoic acid
FA 18:3
O2

keggC:M_C16321
seedM:M_cpd15037
vmhM:M_M00078 		secondary/obsolete/fantasy identifier