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

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1-butyrylglycerol

	Properties	Image
MNX_ID	MNXM146798
reference	chebi:76503
formula	C₇H₁₄O₄
global charge	0
mol weight	162.185
InChIKey	RIEABXYBQSLTFR-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
SMILES	CCCC(=O)OCC(O)CO

MNX internals

InChI (mnx)	InChI=1/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3/t6?
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][C:7](=[O:10])[O:11][CH2:5][CH:6]([CH2:4][OH:8])[OH:9]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76503 chebi:76503 RIEABXYBQSLTFR-UHFFFAOYSA-N	1-butyrylglycerol 1-O-(butyryl)glycerol 1-mono-n-butyrin 1-monobutyrin 2,3-Dihydroxypropylbutyrat 2,3-dihydroxypropyl butanoate 2,3-dihydroxypropyl butyrate 3-butyryloxypropane-1,2-diol Butyrate de 2,3-dihydroxypropyle alpha-monobutyrin butanoic acid 2,3-dihydroxypropyl ester glycerol-alpha-mono-n-butyrate mono-n-butyrin monobutyrin
sabiork.compound:25132 sabiorkM:25132 RIEABXYBQSLTFR-UHFFFAOYSA-N	1-Monobutyrin
SLM:000399846 slm:000399846 RIEABXYBQSLTFR-UHFFFAOYSA-N	1-butyrylglycerol
hmdb:HMDB0243949 RIEABXYBQSLTFR-UHFFFAOYSA-N	Butanoic acid, 2,3-dihydroxypropyl ester 1-Butyrylglycerol 1-Monobutyrin 1-O-(Butyryl)glycerol 1-mono-N-Butyrin 1-monobutyrin 2,3-Dihydroxypropyl butanoate 2,3-Dihydroxypropyl butanoic acid 2,3-Dihydroxypropylbutyrat 2,3-dihydroxypropyl butanoate 3-Butyryloxypropane-1,2-diol Butanoate 2,3-dihydroxypropyl ester Butanoate, 2,3-dihydroxypropyl ester Butanoic acid 2,3-dihydroxypropyl ester Butyrate de 2,3-dihydroxypropyle Butyric acid de 2,3-dihydroxypropyle Glycerol-a-mono-N-butyrate Glycerol-a-mono-N-butyric acid Glycerol-alpha-mono-N-butyrate Glycerol-alpha-mono-N-butyric acid Monobutyrin a-Monobutyrin alpha-Monobutyrin alpha-monobutyrin mono-N-Butyrin