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

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Butyl dodecanoate

	Properties	Image
MNX_ID	MNXM119952
reference	chebi:174365
formula	C₁₆H₃₂O₂
global charge	0
mol weight	256.43
InChIKey	NDKYEUQMPZIGFN-UHFFFAOYSA-N
InChI	InChI=1S/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
SMILES	CCCCCCCCCCCC(=O)OCCCC

MNX internals

InChI (mnx)	InChI=1/C16H32O2/c1-3-5-7-8-9-10-11-12-13-14-16(17)18-15-6-4-2/h3-15H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:16](=[O:17])[O:18][CH2:15][CH2:6][CH2:4][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:174365 chebi:174365 NDKYEUQMPZIGFN-UHFFFAOYSA-N	Butyl dodecanoate butyl dodecanoate
hmdb:HMDB0032065 NDKYEUQMPZIGFN-UHFFFAOYSA-N	Butyl dodecanoate BYTYL laurate Butyl dodecanoic acid Butyl dodecylate Butyl laurate Dodecanoic acid, butyl ester FEMA 2206 Lauric acid N-butyl ester Lauric acid butyl ester Lauric acid, butyl ester Lauric acid, butyl ester (8ci) N-Butyl N-dodecanoate N-Butyl laurate butyl dodecanoate dodecanoic acid, butyl ester
lipidmaps:LMFA07010793 lipidmapsM:LMFA07010793 NDKYEUQMPZIGFN-UHFFFAOYSA-N	Butyl dodecanoate SFE 16:0 butyl dodecanoate
sabiork.compound:31766 sabiorkM:31766 NDKYEUQMPZIGFN-UHFFFAOYSA-N	Butyl laurate Butyl dodecanoate Lauric acid butyl ester
hmdb:HMDB32065	secondary/obsolete/fantasy identifier