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

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(R)-10-hydroxyoctadecanoate

	Properties	Image
MNX_ID	MNXM4197
reference	chebi:15683
formula	C₁₈H₃₅O₃
global charge	-1
mol weight	299.475
InChIKey	PAZZVPKITDJCPV-QGZVFWFLSA-M
InChI	InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/p-1/t17-/m1/s1
SMILES	CCCCCCCC[C@@H](O)CCCCCCCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:8][CH2:11][CH2:14][C@H:17]([CH2:15][CH2:12][CH2:9][CH2:6][CH2:7][CH2:10][CH2:13][CH2:16][C:18](=[O:20])[OH:21])[OH:19]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15683 chebi:15683 PAZZVPKITDJCPV-QGZVFWFLSA-M	(R)-10-hydroxyoctadecanoate (10R)-10-hydroxyoctadecanoate (R)-10-hydroxystearate
metacyc.compound:CPD-57 metacycM:CPD-57 seed.compound:cpd02040 seedM:cpd02040 sabiork.compound:2694 sabiorkM:2694 vmhM:10hocdca vmhmetabolite:10hocdca PAZZVPKITDJCPV-QGZVFWFLSA-M PAZZVPKITDJCPV-QGZVFWFLSA-N	(R)-10-Hydroxystearate
kegg.compound:C03195 keggC:C03195 PAZZVPKITDJCPV-QGZVFWFLSA-N	(R)-10-Hydroxystearate (R)-10-Hydroxyoctadecanoic acid (R)-10-Hydroxystearic acid
CHEBI:33197 chebi:33197 PAZZVPKITDJCPV-QGZVFWFLSA-N	(R)-10-hydroxyoctadecanoic acid (10R)-10-hydroxyoctadecanoic acid (10R)-10-hydroxystearic acid
lipidmaps:LMFA02000237 lipidmapsM:LMFA02000237 PAZZVPKITDJCPV-QGZVFWFLSA-N	(R)-10-hydroxystearic acid (R)-10-Hydroxystearate 10R-hydroxyoctadecanoic acid FA 18:0 O
CHEBI:143089 chebi:143089 PAZZVPKITDJCPV-UHFFFAOYSA-M	10-hydroxyoctadecanoate 10-OH-C18:0(1-) 10-hydroxyoctadecanoic acid(1-) 10-hydroxystearate 10-hydroxystearic acid(1-)
CHEBI:143095 chebi:143095 PAZZVPKITDJCPV-UHFFFAOYSA-N	10-hydroxyoctadecanoic acid 10-hydroxy stearic acid 10-hydroxy-octadecanoic acid 10-hydroxystearic acid
lipidmaps:LMFA02000128 lipidmapsM:LMFA02000128 PAZZVPKITDJCPV-UHFFFAOYSA-N	Rosilic acid 10-HODA 10-hydroxy-octadecanoic acid DL-10-hydroxy stearic acid FA 18:0 O
hmdb:HMDB0037396 PAZZVPKITDJCPV-UHFFFAOYSA-N	xi-10-Hydroxyoctadecanoic acid 10-DL-Hydroxystearic acid 10-Hydroxy stearate 10-Hydroxy stearic acid 10-Hydroxy-octadecanoate 10-Hydroxy-octadecanoic acid 10-Hydroxyoctadecanoic acid 10-Hydroxystearate 10-Hydroxystearic acid 10-hydroxyoctadecanoic acid 10-hydroxystearic acid 18:0(10-OH) Rosilate XI-10-hydroxyoctadecanoate
hmdb:HMDB37396 chebi:10964 chebi:18643 chebi:18644 chebi:304 keggC:M_C03195 seedM:M_cpd02040 vmhM:M_10hocdca	secondary/obsolete/fantasy identifier