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

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propyl acetate

	Properties	Image
MNX_ID	MNXM130017
reference	chebi:40116
formula	C₅H₁₀O₂
global charge	0
mol weight	102.133
InChIKey	YKYONYBAUNKHLG-UHFFFAOYSA-N
InChI	InChI=1S/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
SMILES	CCCOC(C)=O

MNX internals

InChI (mnx)	InChI=1/C5H10O2/c1-3-4-7-5(2)6/h3-4H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][CH2:4][O:7][C:5]([CH3:2])=[O:6]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:40116 chebi:40116 YKYONYBAUNKHLG-UHFFFAOYSA-N	propyl acetate 1-acetoxypropane n-Propyl acetate propyl ethanoate
sabiork.compound:25511 sabiorkM:25511 YKYONYBAUNKHLG-UHFFFAOYSA-N	Propyl acetate
hmdb:HMDB0034237 YKYONYBAUNKHLG-UHFFFAOYSA-N	Propyl acetate 1-Acetoxypropane 1-Propyl acetate Acetic acid N-propyl ester Acetic acid, N-propyl ester Acetic acid, propyl ester Acetic acid,propyl ester N-Propyl acetate N-Propyl acetic acid N-Propyl ethanoate Propyl acetate, ion (1-) Propyl acetic acid Propyl ethanoate Propyl ethanoic acid propyl acetate
metacyc.compound:CPD-18998 metacycM:CPD-18998 seed.compound:cpd33154 seedM:cpd33154 YKYONYBAUNKHLG-UHFFFAOYSA-N	propyl acetate
hmdb:HMDB34237 seedM:M_cpd33154	secondary/obsolete/fantasy identifier