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

Feedback

ethyl acetate

	Properties	Image
MNX_ID	MNXM8595
reference	chebi:27750
formula	C₄H₈O₂
global charge	0
mol weight	88.106
InChIKey	XEKOWRVHYACXOJ-UHFFFAOYSA-N
InChI	InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
SMILES	CCOC(C)=O

MNX internals

InChI (mnx)	InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
SMILES (mnx)	[CH3:1][CH2:3][O:6][C:4]([CH3:2])=[O:5]

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:27750 chebi:27750 XEKOWRVHYACXOJ-UHFFFAOYSA-N	ethyl acetate 1-acetoxyethane AcOEt Acetyl ester CH3-CO-O-CH3 ETHYL ACETATE Essigester Essigsaeureethylester EtOAc Ethyl acetate Ethylacetat Ethylazetat acetic acid ethyl ester acetic acid, ethyl ester acetic ester acetoxyethane ethyl acetic ester ethyl ethanoate vinegar naphtha
sabiork.compound:2170 sabiorkM:2170 XEKOWRVHYACXOJ-UHFFFAOYSA-N	Acetic ester Ethyl acetate
envipath:...63bd0ae3fa5c envipathM:...63bd0ae3fa5c kegg.compound:C00849 keggC:C00849 XEKOWRVHYACXOJ-UHFFFAOYSA-N	Ethyl acetate
kegg.drug:D02319 keggD:D02319 XEKOWRVHYACXOJ-UHFFFAOYSA-N	Ethyl acetate (NF)
hmdb:HMDB0031217 XEKOWRVHYACXOJ-UHFFFAOYSA-N	Ethyl acetate 1-Acetoxyethane AcOEt Acetate ethyl ester Acetate, ethyl ester Acetic acid ethyl ester Acetic acid, ethyl ester Acetic ester Acetic ether Acetic-acid-ethylester Acetidin Acetoxyethane Acetyl ester CH3-CO-O-CH3 Dibutylamine Essigester Essigsaeureethylester EtOAc Ethyl acetic acid Ethyl acetic ester Ethyl ester OF acetic acid Ethyl ethanoate Ethyl ethanoic acid Ethylacetat Ethylazetat Vinegar naphtha
seed.compound:cpd00633 seedM:cpd00633 XEKOWRVHYACXOJ-UHFFFAOYSA-N	Ethyl acetate Acetic ester acet-et-ester acet-eth-ester acet-ethylester acetic ester acetic-acid-ethylester ethyl ethyl acetate ethylacetate ethylether
metacyc.compound:ETHYLACETATE metacycM:ETHYLACETATE XEKOWRVHYACXOJ-UHFFFAOYSA-N	ethyl acetate acet-eth-ester acet-ethylester acetic ester acetic-acid-ethylester ether ethyl ethylether
hmdb:HMDB31217 chebi:2389 chebi:23989 chebi:42244 keggC:M_C00849 keggD:M_D02319 seedM:M_cpd00633	secondary/obsolete/fantasy identifier