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

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butyl formate

	Properties	Image
MNX_ID	MNXM119955
reference	chebi:88514
formula	C₅H₁₀O₂
global charge	0
mol weight	102.133
InChIKey	NMJJFJNHVMGPGM-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
SMILES	CCCCOC=O

MNX internals

InChI (mnx)	InChI=1/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][O:7][CH:5]=[O:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88514 chebi:88514 NMJJFJNHVMGPGM-UHFFFAOYSA-N	butyl formate FEMA 2916 FEMA No. 2196 butyl methanoate formic acid butyl ester formic acid, butyl ester n-butyl formate n-butyl methanoate
kegg.compound:C21713 keggC:C21713 NMJJFJNHVMGPGM-UHFFFAOYSA-N	Butyl formate
hmdb:HMDB0040575 NMJJFJNHVMGPGM-UHFFFAOYSA-N	Butyl formate Butyl formic acid Butyl methanoate Butyl methanoic acid Butylester kyseliny mravenci FEMA 2916 FEMA no. 2196 Formate butyl ester Formate, butyl ester Formic acid butyl ester Formic acid, butyl ester N-Butyl formate N-Butyl formic acid N-Butyl methanoate N-Butyl methanoic acid hcoo(CH2)3ch3
metacyc.compound:CPD-18956 metacycM:CPD-18956 seed.compound:cpd31600 seedM:cpd31600 NMJJFJNHVMGPGM-UHFFFAOYSA-N	butyl formate
envipath:...d81d403a560e envipathM:...d81d403a560e NMJJFJNHVMGPGM-UHFFFAOYSA-N	compound 0046631
hmdb:HMDB40575 keggC:M_C21713 seedM:M_cpd31600	secondary/obsolete/fantasy identifier