MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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dinor-OPDA

	Properties	Image
MNX_ID	MNXM166466
reference	chebi:138432
formula	C₁₆H₂₃O₃
global charge	-1
mol weight	263.357
InChIKey	SZVNKXCDJUBPQO-DWMAKUKJSA-M
InChI	InChI=1S/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/p-1/b5-3-/t13-,14-/m0/s1
SMILES	CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C16H24O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h3,5,11-14H,2,4,6-10H2,1H3,(H,18,19)/b5-3-/t13-,14-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2]/[CH:3]=[CH:5]\[CH2:9][C@H:14]1[C@@H:13]([CH2:8][CH2:6][CH2:4][CH2:7][CH2:10][C:16](=[O:18])[OH:19])[CH:11]=[CH:12][C:15]1=[O:17]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138432 chebi:138432 SZVNKXCDJUBPQO-DWMAKUKJSA-M	dinor-OPDA 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate dinor-12-oxo PDA(1-) dinor-OPDA(1-) dnOPDA(1-)
metacyc.compound:CPD-24828 metacycM:CPD-24828 SZVNKXCDJUBPQO-DWMAKUKJSA-M	(S,S,Z)-dinor-12-oxo-phytodienoate (S,S,Z)-dinor-12-oxo PDA (S,S,Z)-dinor-12-oxo-phytodienoic acid (S,S,Z)-dinor-OPDA 4-oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1S-hexanoate 4-oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1S-hexanoic acid 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoate dinor-12-oxo PDA dinor-OPDA dnOPDA
sabiork.compound:28975 sabiorkM:28975 SZVNKXCDJUBPQO-DWMAKUKJSA-M	4-Oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1-hexanoic acid dinor-OPDA
CHEBI:138434 chebi:138434 SZVNKXCDJUBPQO-DWMAKUKJSA-N	6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid (S,S,Z)-dinor-12-oxo PDA (S,S,Z)-dinor-12-oxo-phytodienoic acid (S,S,Z)-dinor-OPDA 4-oxo-5S-(2Z)-2-penten-1-yl-2-cyclopentene-1S-hexanoic acid 6-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}hexanoic acid dinor-12-oxo PDA
lipidmaps:LMFA02010018 lipidmapsM:LMFA02010018 SZVNKXCDJUBPQO-DWMAKUKJSA-N	dinor-12-oxo PDA (1S,2S)-3-oxo-2-(2'Z-pentenyl) cyclopent-4-enehexanoic acid Dinor-12-oxophytodienoic acid FA 16:4 O dn-OPDA
SLM:000597985 slm:000597985 SZVNKXCDJUBPQO-DWMAKUKJSA-M	dinor-OPDA