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

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methyl decanoate

	Properties	Image
MNX_ID	MNXM100115
reference	chebi:143577
formula	C₁₁H₂₂O₂
global charge	0
mol weight	186.295
InChIKey	YRHYCMZPEVDGFQ-UHFFFAOYSA-N
InChI	InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
SMILES	CCCCCCCCCC(=O)OC

MNX internals

InChI (mnx)	InChI=1/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11](=[O:12])[O:13][CH3:2]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:143577 chebi:143577 YRHYCMZPEVDGFQ-UHFFFAOYSA-N	methyl decanoate
sabiork.compound:23115 sabiorkM:23115 YRHYCMZPEVDGFQ-UHFFFAOYSA-N	Methyl decanoate
hmdb:HMDB0033848 YRHYCMZPEVDGFQ-UHFFFAOYSA-N	Methyl decanoate Capric acid methyl ester Decanoic acid methyl ester Decanoic acid, methyl ester Decanoic acid,methyl ester Metholene 2095 Methyl N-caprate Methyl N-decanoate Methyl caprate Methyl caprinate Methyl decanoic acid Methyl-N-caprate N-Capric acid methyl ester Uniphat a30 methyl decanoate
lipidmaps:LMFA07010454 lipidmapsM:LMFA07010454 YRHYCMZPEVDGFQ-UHFFFAOYSA-N	SFE 1:0/10:0 Methyl decanoate SFE 11:0 WE(1:0/10:0)
hmdb:HMDB33848	secondary/obsolete/fantasy identifier