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

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Avocadene

	Properties	Image
MNX_ID	MNXM119556
reference	lipidmapsM:LMFA05000639
formula	C₁₇H₃₄O₃
global charge	0
mol weight	286.456
InChIKey	DFEHQWFIOMAGBM-IAGOWNOFSA-N
InChI	InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2/t16-,17-/m1/s1
SMILES	C=CCCCCCCCCCCC[C@@H](O)C[C@@H](O)CO

MNX internals

InChI (mnx)	InChI=1/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2/t16-,17-/m1/s1
SMILES (mnx)	[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C@H:16]([CH2:14][C@H:17]([CH2:15][OH:18])[OH:20])[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
lipidmaps:LMFA05000639 lipidmapsM:LMFA05000639 DFEHQWFIOMAGBM-IAGOWNOFSA-N	Avocadene FOH 17:1 O2 heptadec-16-ene-1,2R,4R-triol
hmdb:HMDB0031042 CHEBI:172520 chebi:172520 DFEHQWFIOMAGBM-UHFFFAOYSA-N	Avocadene heptadec-16-ene-1,2,4-triol
hmdb:HMDB31042	secondary/obsolete/fantasy identifier