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

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3-oxotetradecanoic acid

	Properties	Image
MNX_ID	MNXM36740
reference	chebi:37270
formula	C₁₄H₂₆O₃
global charge	0
mol weight	242.359
InChIKey	XLKOZYOVXNPWGT-UHFFFAOYSA-N
InChI	InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES	CCCCCCCCCCCC(=O)CC(=O)O

MNX internals

InChI (mnx)	InChI=1/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h2-12H2,1H3,(H,16,17)
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:13]([CH2:12][C:14](=[O:16])[OH:17])=[O:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:37270 chebi:37270 XLKOZYOVXNPWGT-UHFFFAOYSA-N	3-oxotetradecanoic acid 3-oxomyristic acid
hmdb:HMDB0010730 XLKOZYOVXNPWGT-UHFFFAOYSA-N	3-Oxotetradecanoic acid 3-Oxomyristate 3-Oxomyristic acid 3-Oxotetradecanoate 3-oxo-Tetradecanoate 3-oxo-Tetradecanoic acid 3-oxotetradecanoic acid
metacyc.compound:CPD-14242 metacycM:CPD-14242 seed.compound:cpd24242 seedM:cpd24242 XLKOZYOVXNPWGT-UHFFFAOYSA-M	3-oxo-myristate
lipidmaps:LMFA01060099 lipidmapsM:LMFA01060099 XLKOZYOVXNPWGT-UHFFFAOYSA-N	3-oxo-tetradecanoic acid 3-oxo-tetradecanoic acid FA 14:1 O
hmdb:HMDB10730 seedM:M_cpd24242	secondary/obsolete/fantasy identifier