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(8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoate

PropertiesImage
MNX_IDMNXM146329 Image of MNXM146329
referencechebi:75348
formulaC18H29O4
global charge-1
mol weight309.426
InChIKeyPTYXOLTZOUXIKI-ZLXVQWIVSA-M
InChIInChI=1S/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h3-4,8,11-12,15,17,21H,2,5-7,9-10,13-14,16H2,1H3,(H,19,20)/p-1/b4-3-,11-8-,15-12+/t17-/m0/s1
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/CCCCCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C18H30O4/c1-2-3-4-5-8-11-14-17(22-21)15-12-9-6-7-10-13-16-18(19)20/h3-4,8,11-12,15,17,21H,2,5-7,9-10,13-14,16H2,1H3,(H,19,20)/b4-3-,11-8-,15-12+/t17-/m0/s1 Image of MNXM146329
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5]/[CH:8]=[CH:11]\[CH2:14][C@@H:17](/[CH:15]=[CH:12]/[CH2:9][CH2:6][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)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:75348
chebi:75348
PTYXOLTZOUXIKI-ZLXVQWIVSA-M 		(8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoate
(8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate

kegg.compound:C20704
keggC:C20704
PTYXOLTZOUXIKI-ZLXVQWIVSA-N 		(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate

seed.compound:cpd31285
seedM:cpd31285
PTYXOLTZOUXIKI-ZLXVQWIVSA-M 		(8E,10S,12Z,15Z)-10-Hydroperoxyoctadeca-8,12,15-trienoate
(8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate
10(S)-HPOTE

CHEBI:75615
chebi:75615
PTYXOLTZOUXIKI-ZLXVQWIVSA-N 		(8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid

metacyc.compound:CPD-15843
metacycM:CPD-15843
PTYXOLTZOUXIKI-ZLXVQWIVSA-M 		10(S)-HpOTre
(8E,10S,12Z,15Z)-10-hydroperoxyoctadec-8,12,15-trienoate
10(S)-HPOTE

keggC:M_C20704
seedM:M_cpd31285 		secondary/obsolete/fantasy identifier