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(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate

PropertiesImage
MNX_IDMNXM737894 Image of MNXM737894
referencechebi:78100
formulaC20H33O5
global charge-1
mol weight353.479
InChIKeyWPLPEZUSILBTGP-CIQDQOFUSA-M
InChIInChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1
SMILESCCCCC/C=C\C[C@H](O)[C@H](O)/C=C/C(O)C/C=C\CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1 Image of MNXM737894
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:10]\[CH2:13][C@@H:18]([C@@H:19](/[CH:16]=[CH:15]/[CH:17]([CH2:12]/[CH:9]=[CH:7]\[CH2:8][CH2:11][CH2:14][C:20](=[O:24])[OH:25])[OH:21])[OH:23])[OH:22]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78100
chebi:78100
WPLPEZUSILBTGP-CIQDQOFUSA-M 		(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-icosatrienoate(1-)
trioxilin A3 anion
trioxilin A3(1-)

seed.compound:cpd30749
seedM:cpd30749
WPLPEZUSILBTGP-CIQDQOFUSA-M 		(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
hmdb:HMDB0001977
WPLPEZUSILBTGP-CIQDQOFUSA-N 		Trioxilin A3
(5Z,9E,11R,12S,14Z)-8,11,12-Trihydroxyicosa-5,9,14-trienoate
(5Z,9E,11R,12S,14Z)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoate
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
(8,11R,12S)-OH 5c9t14t-20:3
(8,11R,12S)-OH 5c9t14t-C20:3
8,11,12-Teta
8,11,12-Trihydroxy-5,9,14-eicosatrienoate
8,11,12-Trihydroxy-5,9,14-eicosatrienoic acid
8,11R,12S-TriOH 5c9t14c-20:3
8,11R,12S-TriOH 5c9t14c-C20:3
8,11R,12S-Trihydroxy-5Z,9E,14Z-eicosatrienoate
8,11R,12S-Trihydroxy-5Z,9E,14Z-eicosatrienoic acid
trioxilin A3

kegg.compound:C14809
keggC:C14809
WPLPEZUSILBTGP-CIQDQOFUSA-N 		Trioxilin A3
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid

SLM:000000987
slm:000000987
WPLPEZUSILBTGP-CIQDQOFUSA-M 		Trioxilin A3
(8,11R,12S)-TriH-(5Z,9E,14Z)-ETrE
(8,11R,12S)-TriHETrE
(8,11R,12S)-trihydroxy-(5Z,9E,14Z)-eicosatrienoate

lipidmaps:LMFA03090002
lipidmapsM:LMFA03090002
WPLPEZUSILBTGP-CIQDQOFUSA-N 		Trioxilin A3
8,11R,12S-trihydroxy-5Z,9E,14Z-eicosatrienoic acid
FA 20:3
O3

CHEBI:36203
chebi:36203
WPLPEZUSILBTGP-CIQDQOFUSA-N 		trioxilin A3
(5Z,9E,11R,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyeicosa-5,9,14-trienoic acid
(5Z,9E,14Z)-(11R,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid
(8,11R,12S)-OH 5c9t14t-20:3
(8,11R,12S)-OH 5c9t14t-C20:3
8,11,12-Teta
8,11R,12S-triOH 5c9t14c-20:3
8,11R,12S-triOH 5c9t14c-C20:3
Trioxilin A3

hmdb:HMDB01977
chebi:35031
chebi:9739
keggC:M_C14809
seedM:M_cpd30749 		secondary/obsolete/fantasy identifier