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

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(9S,10R)-epoxy-octadecanoate

	Properties	Image
MNX_ID	MNXM1369149
reference	chebi:137461
formula	C₁₈H₃₃O₃
global charge	-1
mol weight	297.459
InChIKey	IMYZYCNQZDBZBQ-SJORKVTESA-M
InChI	InChI=1S/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/p-1/t16-,17+/m1/s1
SMILES	CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C18H34O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/t16-,17+/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:7][CH2:10][CH2:13][C@@H:16]1[C@H:17]([CH2:14][CH2:11][CH2:8][CH2:6][CH2:9][CH2:12][CH2:15][C:18](=[O:19])[OH:20])[O:21]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:137461 chebi:137461 IMYZYCNQZDBZBQ-SJORKVTESA-M	(9S,10R)-epoxy-octadecanoate (9S,10R)-epoxyoctadecanoate (9S,10R)-epoxystearate 8-[(2S,3R)-3-octyloxiran-2-yl]octanoate cis-9,10-epoxyoctadecanoate
SLM:000597879 slm:000597879 IMYZYCNQZDBZBQ-SJORKVTESA-M	(9S,10R)-epoxy-octadecanoate
CHEBI:138262 chebi:138262 IMYZYCNQZDBZBQ-SJORKVTESA-N	(9S,10R)-epoxyoctadecanoic acid (9S,10R)-epoxystearic acid 8-[(2S,3R)-3-octyloxiran-2-yl]octanoic acid
kegg.compound:C19418 keggC:C19418 IMYZYCNQZDBZBQ-UHFFFAOYSA-N	9,10-Epoxystearate 9,10-Epoxyoctadecanoic acid 9,10-Epoxystearic acid
sabiork.compound:23030 sabiorkM:23030 IMYZYCNQZDBZBQ-UHFFFAOYSA-N	9,10-Epoxystearic acid
hmdb:HMDB0247617 IMYZYCNQZDBZBQ-UHFFFAOYSA-N	9,10-Epoxystearic acid 8-(3-Octyloxiran-2-yl)octanoate 8-(3-Octyloxiran-2-yl)octanoic acid 8-(3-octyloxiran-2-yl)octanoic acid 9,10-Epoxyoctadecanoate 9,10-Epoxyoctadecanoic acid 9,10-Epoxystearate 9,10-Epoxystearic acid, (cis)-isomer 9,10-Epoxystearic acid, (trans)-isomer 9,10-Epoxystearic acid, 14C-acid 9,10-Epoxystearic acid, ammonium salt 9,10-Epoxystearic acid, potassium salt 9,10-Epoxystearic acid, sodium salt 9R,10S-epoxy-stearic acid cis-9,10-Epoxystearic acid
CHEBI:85195 chebi:85195 IMYZYCNQZDBZBQ-UHFFFAOYSA-M	9,10-epoxyoctadecanoate 8-(3-octyloxiran-2-yl)octanoate 9,10-epoxystearate
SLM:000501370 slm:000501370 IMYZYCNQZDBZBQ-UHFFFAOYSA-M	9,10-epoxyoctadecanoate 9,10-epoxystearate
CHEBI:85661 chebi:85661 IMYZYCNQZDBZBQ-UHFFFAOYSA-N	9,10-epoxyoctadecanoic acid 8-(3-octyloxiran-2-yl)octanoic acid 9,10-epoxystearic acid
metacyc.compound:CPD-10514 metacycM:CPD-10514 IMYZYCNQZDBZBQ-UHFFFAOYSA-M	9,10-epoxystearate 9,10-epoxystearic acid 9R,10S-epoxystearate cis-3-octyloxirane octanoic acid cis-9,10-epoxystearic acid epoxyoleic acid
lipidmaps:LMFA02000326 lipidmapsM:LMFA02000326 IMYZYCNQZDBZBQ-UHFFFAOYSA-N	9,10-epoxystearic acid 9(10)-EpODA 9,10-epoxyoctadecanoic acid FA 18:1 O
lipidmaps:LMFA02000001 lipidmapsM:LMFA02000001 IMYZYCNQZDBZBQ-SJORKVTESA-N	9S,10R-epoxy-stearic acid 9S,10R-epoxy-octadecanoic acid FA 18:1 O
seed.compound:cpd20674 seedM:cpd20674 IMYZYCNQZDBZBQ-UHFFFAOYSA-M	cis-9,10-Epoxystearic acid 9,10-epoxystearate 9,10-epoxystearic acid 9R,10S-epoxystearate cis-3-octyloxirane octanoic acid cis-9,10-epoxystearic acid epoxyoleic acid
keggC:M_C19418 seedM:M_cpd20674	secondary/obsolete/fantasy identifier