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

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18-oxo-resolvin E1

	Properties	Image
MNX_ID	MNXM33765
reference	chebi:91001
formula	C₂₀H₂₇O₅
global charge	-1
mol weight	347.431
InChIKey	CMOJNYRANQREGD-IJDHQMKWSA-M
InChI	InChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/p-1/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1
SMILES	CCC(=O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t18-,19+/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][C:17](/[CH:11]=[CH:8]/[CH:5]=[CH:9]\[CH2:14][C@H:18](/[CH:12]=[CH:6]/[CH:3]=[CH:4]/[CH:7]=[CH:13]\[C@H:19]([CH2:15][CH2:10][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])=[O:21]

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
Identifier	Description
CHEBI:91001 chebi:91001 CMOJNYRANQREGD-IJDHQMKWSA-M	18-oxo-resolvin E1 (5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoate 18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoate 18-oxo-RvE1(1-) 18-oxo-resolvin E1(1-) 18-oxoresolvin E1(1-)
metacyc.compound:CPD-24263 metacycM:CPD-24263 CMOJNYRANQREGD-IJDHQMKWSA-M	18-dehydro-resolvin E1 (5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoate 18-oxoresolvin
lipidmaps:LMFA03140012 lipidmapsM:LMFA03140012 CMOJNYRANQREGD-IJDHQMKWSA-N	18-oxo-Resolvin E1 18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid 18-oxo-RvE1 FA 20:6 O3
SLM:000501208 slm:000501208 CMOJNYRANQREGD-IJDHQMKWSA-M	18-oxo-resolvin E1 18-keto-RvE1 18-oxo-(5S,12R)-dihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate 18-oxo-RvE1
reactome:R-ALL-9023963 reactomeM:R-ALL-9023963 CHEBI:131617 chebi:131617 CMOJNYRANQREGD-IJDHQMKWSA-N	18-oxoresolvin E1 (5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoic acid 18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid 18-oxo-Resolvin E1 18-oxo-RvE1