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

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5-HOME(2)

	Properties	Image
MNX_ID	MNXM102044
reference	chebi:179242
formula	C₁₈H₃₄O₃
global charge	0
mol weight	298.467
InChIKey	VXSVRGKQXAZESE-DTQAZKPQSA-N
InChI	InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h13,16-17,19H,2-12,14-15H2,1H3,(H,20,21)/b16-13+
SMILES	CCCCCCCCCCCCCC(O)C/C=C/C(=O)O

MNX internals

InChI (mnx)	InChI=1/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h13,16-17,19H,2-12,14-15H2,1H3,(H,20,21)/b16-13+/t17?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:14][CH:17]([CH2:15]/[CH:13]=[CH:16]/[C:18](=[O:20])[OH:21])[OH:19]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:179242 chebi:179242 VXSVRGKQXAZESE-DTQAZKPQSA-N	5-HOME(2) (E)-5-hydroxyoctadec-2-enoic acid
lipidmaps:LMFA02000202 lipidmapsM:LMFA02000202 VXSVRGKQXAZESE-DTQAZKPQSA-N	5-HOME(2) 2-Octadecenoic acid, 5-hydroxy- 5-hydroxy-2-octadecenoic acid FA 18:1 O