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

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18-hydroxy-9,10-epoxy-octadecanoate

	Properties	Image
MNX_ID	MNXM5585
reference	chebi:137457
formula	C₁₈H₃₃O₄
global charge	-1
mol weight	313.458
InChIKey	ITTPZDMHCNGAGQ-UHFFFAOYSA-M
InChI	InChI=1S/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/p-1
SMILES	O=C([O-])CCCCCCCC1OC1CCCCCCCCO

MNX internals

InChI (mnx)	InChI=1/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)/t16?,17?
SMILES (mnx)	[CH2:1]([CH2:2][CH2:7][CH2:11][CH2:15][OH:19])[CH2:4][CH2:8][CH2:12][CH:16]1[CH:17]([CH2:13][CH2:9][CH2:5][CH2:3][CH2:6][CH2:10][CH2:14][C:18](=[O:20])[OH:21])[O:22]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:137457 chebi:137457 ITTPZDMHCNGAGQ-UHFFFAOYSA-M	18-hydroxy-9,10-epoxy-octadecanoate 18,9(10)-HEpSTA(1-) 18-hydroxy-9,10-epoxystearate 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoate 9,10-epoxy-18-hydroxyoctadecanoate
SLM:000597883 slm:000597883 ITTPZDMHCNGAGQ-UHFFFAOYSA-M	18-hydroxy-(9,10)-epoxy-octadecanoate
hmdb:HMDB0302107 ITTPZDMHCNGAGQ-UHFFFAOYSA-N	9,10-Epoxy-18-hydroxy-octadecanoic acid 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid 9,10-Epoxy-18-hydroxy-octadecanoate 9,10-Epoxy-18-hydroxyoctadecanoate 9,10-Epoxy-18-hydroxystearate 9,10-Epoxy-18-hydroxystearic acid
kegg.compound:C19620 keggC:C19620 ITTPZDMHCNGAGQ-UHFFFAOYSA-N	9,10-Epoxy-18-hydroxystearate
seed.compound:cpd20873 seedM:cpd20873 ITTPZDMHCNGAGQ-UHFFFAOYSA-M	9,10-Epoxy-18-hydroxystearate 9,10-epoxy-18-hydroxystearate 9R,10S-epoxy-18-hydroxystearate
CHEBI:133381 chebi:133381 ITTPZDMHCNGAGQ-UHFFFAOYSA-N	9,10-epoxy-18-hydroxyoctadecanoic acid 8-[3-(8-hydroxyoctyl)oxiran-2-yl]octanoic acid 9,10-epoxy-18-hydroxystearic acid
metacyc.compound:910-EPOXY-18-HYDROXYSTEARATE metacycM:910-EPOXY-18-HYDROXYSTEARATE ITTPZDMHCNGAGQ-UHFFFAOYSA-M	9,10-epoxy-18-hydroxystearate 9R,10S-epoxy-18-hydroxystearate
chebi:134194 keggC:M_C19620 seedM:M_cpd20873	secondary/obsolete/fantasy identifier