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(9S,13S,15Z)-12-oxophyto-10,15-dienoate

MNXM8017 is deprecated and here replaced by MNXM729361
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729361 Image of MNXM729361
referencechebi:57411
formulaC18H27O3
global charge-1
mol weight291.411
InChIKeyPMTMAFAPLCGXGK-JMTMCXQRSA-M
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)/p-1/b7-3-/t15-,16-/m0/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-/m0/s1 Image of MNXM729361
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)10
in models (compartimentalized) 4
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57411
chebi:57411
PMTMAFAPLCGXGK-JMTMCXQRSA-M 		(9S,13S,15Z)-12-oxophyto-10,15-dienoate
(15Z)-12-oxophyto-10,15-dienoate
8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate

SLM:000597974
slm:000597974
PMTMAFAPLCGXGK-JMTMCXQRSA-M 		(10Z,15Z)-12-oxophytodienoate

sabiork.compound:5458
sabiorkM:5458
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		(15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-Oxophyto-10,15-dienoic acid
12-Oxo-10,15(Z)-phytodienoic acid
12-Oxo-phytodienoic acid
9(S),13(S)-12-Oxo-PDA
OPDA

CHEBI:15560
chebi:15560
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		(15Z)-12-oxophyto-10,15-dienoic acid
(15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-Oxophyto-10,15-dienoic acid
12-OPDA
12-Oxo-10,15(Z)-phytodienoic acid
12-oxophytodienoic acid
4-oxo-5-(2-pentenyl)-2-Cyclopentene-1-octanoic acid
8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid
9(S),13(S)-12-Oxo-PDA
OPDA

kegg.compound:C01226
keggC:C01226
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		(9S,13S,15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-Oxophyto-10,15-dienoic acid
(9S,13S)-12-Oxophytodienoate
(9S,13S)-OPDA
12-OPDA
12-Oxo-10,15(Z)-phytodienoic acid
9(S),13(S)-12-Oxo-PDA

metacyc.compound:CPD-729
metacycM:CPD-729
PMTMAFAPLCGXGK-JMTMCXQRSA-M 		(9S,13S,15Z)-12-oxophyto-10,15-dienoate
(10Z,15Z)-12-oxophytodienoate
(15Z)-12-oxophyto-10,15-dienoate
(15Z)-12-oxophyto-10,15-dienoic acid
12-OPDA
12-oxophytodienoic acid
4-oxo-5-(2-pentenyl)-2-cyclopentene-1-octanoic acid
8-(2-(cis-2'-pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoate
9(S),13(S)-12-Oxo-PDA

seed.compound:cpd00903
seedM:cpd00903
PMTMAFAPLCGXGK-JMTMCXQRSA-M 		12-OPDA
(15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-Oxophyto-10,15-dienoic acid
(15Z)-12-oxophyto-10,15-dienoate
12-Oxo-10,15(Z)-phytodienoic acid
12-oxo-cis-10,15-phytodienoate
12-oxo-cis-10,15-phytodienoic acid
12-oxo-phytodienoic acid
9(S),13(S)-12-Oxo-PDA
OPDA
dinor-12-oxo-cis-10,15-phytodienoic acid
dinor-12-oxo-phytodienoate
dinor-12-oxo-phytodienoic acid
dn-OPDA
oxophytodienoic acid
hmdb:HMDB0301804
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		12-oxo-PDA
(15Z)-12-Oxophyto-10,15-dienoate
(15Z)-12-oxophyto-10,15-Dienoic acid
12-OPDA
12-Oxophytodienoate
12-Oxophytodienoic acid
12-oxo-10,15(Z)-Phytodienoate
12-oxo-10,15(Z)-Phytodienoic acid
12-oxo-cis-10, cis-15-Phytodienoic acid
12-oxo-phytodienoic acid
4-oxo-5-(2-Pentenyl)-2-cyclopentene-1-octanoate
4-oxo-5-(2-Pentenyl)-2-cyclopentene-1-octanoic acid
8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoate
8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid
8-[(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl]octanoic acid
9(S),13(S)-12-oxo-PDA
OPDA
OPDA acid

lipidmaps:LMFA02010001
lipidmapsM:LMFA02010001
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		12-oxo-PDA
(1S,2S)-3-oxo-2-(2'Z-pentenyl)cyclopent-4-eneoctanoic acid
(9S,13S)-12-oxo-phytodienoic acid
FA 18:4
O

vmhM:M00026
vmhmetabolite:M00026
PMTMAFAPLCGXGK-JMTMCXQRSA-N 		9(S),13(S)-12-Oxo-PDA

chebi:10825
chebi:148
chebi:19141
chebi:19142
keggC:M_C01226
seedM:M_cpd00903
vmhM:M_M00026 		secondary/obsolete/fantasy identifier