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

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3-methylbutyl acetate

	Properties	Image
MNX_ID	MNXM7451
reference	chebi:31725
formula	C₇H₁₄O₂
global charge	0
mol weight	130.187
InChIKey	MLFHJEHSLIIPHL-UHFFFAOYSA-N
InChI	InChI=1S/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
SMILES	CC(=O)OCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C7H14O2/c1-6(2)4-5-9-7(3)8/h6H,4-5H2,1-3H3
SMILES (mnx)	[CH3:1][CH:6]([CH3:2])[CH2:4][CH2:5][O:9][C:7]([CH3:3])=[O:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:31725 chebi:31725 MLFHJEHSLIIPHL-UHFFFAOYSA-N	3-methylbutyl acetate 3-methyl-1-butanol acetate 3-methyl-1-butyl acetate 3-methyl-but-1-yl acetate 3-methylbutyl ethanoate CH3C(O)O(CH2)2CH(CH3)2 Isoamyl acetate Isoamylacetat Isoamylazetat acetate d'isoamyle acetate d'isopentyle acetate de 3-methylbutyle acetic acid, 3-methylbutyl ester acetic acid, isopentyl ester amylacetic ester beta-methyl butyl acetate i-amyl acetate isoamyl acetate isoamyl ethanoate isopentyl acetate isopentyl ethanoate
metacyc.compound:CPD-19626 metacycM:CPD-19626 MLFHJEHSLIIPHL-UHFFFAOYSA-N	3-methylbutyl acetate 3-methyl-1-butanol acetate 3-methyl-1-butyl acetate isoamyl acetate
bigg.metabolite:iamac biggM:iamac sabiork.compound:14329 sabiorkM:14329 MLFHJEHSLIIPHL-UHFFFAOYSA-N	Isoamyl acetate
kegg.compound:C12296 keggC:C12296 MLFHJEHSLIIPHL-UHFFFAOYSA-N	Isoamyl acetate 3-Methylbutyl acetate
seed.compound:cpd09068 seedM:cpd09068 MLFHJEHSLIIPHL-UHFFFAOYSA-N	Isoamyl acetate 3-methyl-1-butanol acetate 3-methyl-1-butyl acetate 3-methylbutyl acetate iamac isoamyl acetate
hmdb:HMDB0031528 MLFHJEHSLIIPHL-UHFFFAOYSA-N	Isopentyl acetate 1-Butanol, 3-methyl-, 1-acetate 1-Butanol, 3-methyl-, acetate 3-Methyl butyl ester acetic acid 3-Methyl-1-butanol acetate 3-Methyl-1-butanol acetic acid 3-Methyl-1-butanol, acetate 3-Methyl-1-butanyl acetate 3-Methyl-1-butyl acetate 3-Methyl-1-butyl acetic acid 3-Methyl-but-1-yl acetate 3-Methyl-but-1-yl acetic acid 3-Methylbutyl acetate 3-Methylbutyl acetic acid 3-Methylbutyl ethanoate 3-Methylbutyl ethanoic acid 3-methylbutyl acetate Acetate d'isoamyle Acetate d'isopentyle Acetate de 3-methylbutyle Acetate, 3-methylbutyl ester Acetate, isopentyl ester Acetic acid d'isoamyle Acetic acid d'isopentyle Acetic acid de 3-methylbutyle Acetic acid, 3-methylbutyl ester Acetic acid, isopentyl ester Amylacetic ester CH3C(O)O(CH2)2ch(CH3)2 FEMA 2055 I-amyl acetate I-amyl acetic acid Isoamyl acetate Isoamyl acetic acid Isoamyl ethanoate Isoamyl ethanoic acid Isoamylacetat Isoamylazetat Isopentyl acetic acid Isopentyl ethanoate Isopentyl ethanoic acid Isopentylacetate b-Methyl butyl acetate b-Methyl butyl acetic acid banana oil beta-Methyl butyl acetate beta-Methyl butyl acetic acid beta-methyl butyl acetate beta-methyl butyl acetic acid
envipath:...6bd475a4d773 envipathM:...6bd475a4d773 MLFHJEHSLIIPHL-UHFFFAOYSA-N	compound 0046469
hmdb:HMDB31528 biggM:M_iamac keggC:M_C12296 seedM:M_cpd09068	secondary/obsolete/fantasy identifier