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

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(4,5-dihydro-5-oxofuran-2-yl)-acetate

	Properties	Image
MNX_ID	MNXM829
reference	chebi:58425
formula	C₆H₅O₄
global charge	-1
mol weight	141.102
InChIKey	ZPEHSARSWGDCEX-UHFFFAOYSA-M
InChI	InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)/p-1
SMILES	O=C([O-])CC1=CCC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)
SMILES (mnx)	[CH:1]1=[C:4]([CH2:3][C:5](=[O:7])[OH:8])[O:10][C:6](=[O:9])[CH2:2]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58425 chebi:58425 ZPEHSARSWGDCEX-UHFFFAOYSA-M	(4,5-dihydro-5-oxofuran-2-yl)-acetate (5-oxo-4,5-dihydrofuran-2-yl)acetate 5-oxo-4,5-dihydro-2-furylacetate
metacyc.compound:3-OXOADIPATE-ENOL-LACTONE metacycM:3-OXOADIPATE-ENOL-LACTONE ZPEHSARSWGDCEX-UHFFFAOYSA-M	(4,5-dihydro-5-oxofuran-2-yl)-acetate 3-oxoadipate enol lactone beta-ketoadipate-enol-lactone
kegg.compound:C03586 keggC:C03586 ZPEHSARSWGDCEX-UHFFFAOYSA-N	2-Oxo-2,3-dihydrofuran-5-acetate 3-Oxoadipate enol-lactone 4,5-Dihydro-5-oxofuran-2-acetate 5-Oxo-4,5-dihydrofuran-2-acetate
seed.compound:cpd02255 seedM:cpd02255 ZPEHSARSWGDCEX-UHFFFAOYSA-M	3-oxoadipate-enol-lactone (4,5-dihydro-5-oxofuran-2-yl)-acetate 2,3-dihydro-2-oxofuran-5-acetate 2-Oxo-2,3-dihydrofuran-5-acetate 2-oxo-2,3-dihydrofuran-5-acetate 3-Oxoadipate enol-lactone 3-oxoadipate enol lactone 4,5-Dihydro-5-oxofuran-2-acetate 4,5-dihydro-5-oxofuran-2-acetate 5-Oxo-4,5-dihydrofuran-2-acetate 5-oxo-4,5-dihydrofuran-2-acetate 5odhf2a beta-ketoadipate-enol-lactone enol-lactone
bigg.metabolite:5odhf2a biggM:5odhf2a vmhM:5odhf2a vmhmetabolite:5odhf2a ZPEHSARSWGDCEX-UHFFFAOYSA-N	5-Oxo-4,5-dihydrofuran-2-acetate
CHEBI:18267 chebi:18267 ZPEHSARSWGDCEX-UHFFFAOYSA-N	5-oxo-4,5-dihydro-2-furylacetic acid (5-oxo-4,5-dihydrofuran-2-yl)acetic acid 2-Oxo-2,3-dihydrofuran-5-acetate 3-Oxoadipate enol-lactone 3-oxoadipate enol-lactone 4,5-Dihydro-5-oxofuran-2-acetate 5-Oxo-4,5-dihydrofuran-2-acetate 5-oxo-4,5-dihydrofuran-2-acetate
chebi:11871 chebi:11923 chebi:1239 chebi:20269 biggM:M_5odhf2a keggC:M_C03586 seedM:M_cpd02255 vmhM:M_5odhf2a	secondary/obsolete/fantasy identifier