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(9R,13R)-12-oxophytodienoic acid

PropertiesImage
MNX_IDMNXM13629 Image of MNXM13629
referencechebi:34005
formulaC18H28O3
global charge0
mol weight292.419
InChIKeyPMTMAFAPLCGXGK-GTOOTHNYSA-N
InChIInChI=1S/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1
SMILESCC/C=C\C[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)/b7-3-/t15-,16-/m1/s1 Image of MNXM13629
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:7]\[CH2:11][C@@H:16]1[C@H:15]([CH2:10][CH2:8][CH2:5][CH2:4][CH2:6][CH2:9][CH2:12][C:18](=[O:20])[OH:21])[CH:13]=[CH:14][C:17]1=[O:19]
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:34005
chebi:34005
PMTMAFAPLCGXGK-GTOOTHNYSA-N 		(9R,13R)-12-oxophytodienoic acid
8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid

kegg.compound:C13816
keggC:C13816
PMTMAFAPLCGXGK-GTOOTHNYSA-N 		(9R,13R)-12-Oxo-phytodienoic acid
(10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid
(15Z)-12-Oxophyto-10,15-dienoate
(9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid
(9R,13R)-OPDA

seed.compound:cpd09636
seedM:cpd09636
PMTMAFAPLCGXGK-GTOOTHNYSA-M 		(9R,13R)-12-Oxo-phytodienoic acid
(10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid
(9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid
(9R,13R)-12-oxophytodienoate
(9R,13R)-12-oxophytodienoic acid
8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanate

metacyc.compound:CPD-21296
metacycM:CPD-21296
PMTMAFAPLCGXGK-GTOOTHNYSA-M 		(9R,13R)-12-oxophytodienoate
(9R,13R)-12-oxophytodienoic acid
8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanate

CHEBI:59427
chebi:59427
PMTMAFAPLCGXGK-GTOOTHNYSA-M 		(9R,13R)-12-oxophytodienoate
8-{(1R,5R)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate

keggC:M_C13816
seedM:M_cpd09636 		secondary/obsolete/fantasy identifier