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

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a sterol

	Properties	Image
MNX_ID	MNXM740643
reference	chebi:15889
formula	C₁₉H₃₁O*
global charge	0
mol weight
InChIKey
InChI
SMILES	[*]C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

MNX internals

InChI (mnx)	InChI=1/C20H34O/c1-13-4-7-17-16-6-5-14-12-15(21)8-10-20(14,3)18(16)9-11-19(13,17)2/h13-18,21H,4-12H2,1-3H3/t13?,14?,15?,16?,17?,18?,19?,20?/i1+1
SMILES (mnx)	[13CH3:1][CH:13]1[CH2:4][CH2:7][CH:17]2[CH:16]3[CH2:6][CH2:5][CH:14]4[CH2:12][CH:15]([OH:21])[CH2:8][CH2:10][C:20]4([CH3:3])[CH:18]3[CH2:9][CH2:11][C:19]12[CH3:2]

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:15889 chebi:15889	a sterol 3-hydroxysteroids Sterol sterol sterols
seed.compound:cpd28196 seedM:cpd28196	Sterols
metacyc.compound:Sterols metacycM:Sterols	a sterol
chebi:13688 chebi:15114 chebi:26771 chebi:9266 seedM:M_cpd28196	secondary/obsolete/fantasy identifier