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

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(S)-muconolactone

	Properties	Image
MNX_ID	MNXM726703
reference	chebi:58736
formula	C₆H₅O₄
global charge	-1
mol weight	141.102
InChIKey	HPEKPJGPWNSAAV-SCSAIBSYSA-M
InChI	InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/p-1/t4-/m1/s1
SMILES	O=C([O-])C[C@H]1C=CC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
SMILES (mnx)	[CH:1]1=[CH:2][C:6](=[O:9])[O:10][C@H:4]1[CH2:3][C:5](=[O:7])[OH:8]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58736 chebi:58736 HPEKPJGPWNSAAV-SCSAIBSYSA-M	(S)-muconolactone (S)-5-oxo-2,5-dihydro-2-furylacetate [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetate
metacyc.compound:CPD-15124 metacycM:CPD-15124 HPEKPJGPWNSAAV-SCSAIBSYSA-M	(+)-muconolactone (S)-5-oxo-2,5-dihydrofuran-2-acetate
kegg.compound:C14610 keggC:C14610 HPEKPJGPWNSAAV-SCSAIBSYSA-N	(S)-5-Oxo-2,5-dihydrofuran-2-acetate (+)-Muconolactone
seed.compound:cpd19162 seedM:cpd19162 HPEKPJGPWNSAAV-SCSAIBSYSA-M	(S)-5-Oxo-2,5-dihydrofuran-2-acetate (+)-Muconolactone (+)-muconolactone
CHEBI:48068 chebi:48068 HPEKPJGPWNSAAV-SCSAIBSYSA-N	(S)-5-oxo-2,5-dihydro-2-furylacetic acid (+)-Muconolactone (S)-5-Oxo-2,5-dihydrofuran-2-acetate [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
sabiork.compound:7082 sabiorkM:7082 kegg.compound:C04105 keggC:C04105 HPEKPJGPWNSAAV-UHFFFAOYSA-N	2,5-Dihydro-5-oxofuran-2-acetate 2-Oxo-2,5-dihydrofuran-5-acetate 4-Carboxymethyl-4-hydroxyisocrotonolactone 5-Oxo-2,5-dihydrofuran-2-acetate Muconolactone
CHEBI:18080 chebi:18080 HPEKPJGPWNSAAV-UHFFFAOYSA-N	5-oxo-2,5-dihydro-2-furylacetic acid (5-oxo-2,5-dihydrofuran-2-yl)acetic acid 2,5-Dihydro-5-oxofuran-2-acetate 2-Oxo-2,5-dihydrofuran-5-acetate 4-Carboxymethyl-4-hydroxyisocrotonolactone 5-Oxo-2,5-dihydrofuran-2-acetate Muconolactone
vmhM:25d5o2a vmhmetabolite:25d5o2a HPEKPJGPWNSAAV-UHFFFAOYSA-M	Muconolactone
seed.compound:cpd02536 seedM:cpd02536 HPEKPJGPWNSAAV-UHFFFAOYSA-M	Muconolactone (+)-4-hydroxy-4-carboxymethylisocrotonolactone (S)-5-oxo-2,5-dihydrofuran-2-acetate 2,5-Dihydro-5-oxofuran-2-acetate 2,5-dihydro-5-oxofuran-2-acetate 2-Oxo-2,5-dihydrofuran-5-acetate 2-oxo-2,5-dihydrofuran-5-acetate 25d5o2a 4-Carboxymethyl-4-hydroxyisocrotonolactone 4-carboxymethyl-4-hydroxyisocrotonolactone 5-Oxo-2,5-dihydrofuran-2-acetate 5-oxo-2,5-dihydrofuran-2-acetate muconolactone
vmhM:mucl vmhmetabolite:mucl HPEKPJGPWNSAAV-UHFFFAOYSA-M	mucolactone 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
metacyc.compound:CPD-741 metacycM:CPD-741 HPEKPJGPWNSAAV-UHFFFAOYSA-M	muconolactone (+)-4-hydroxy-4-carboxymethylisocrotonolactone 2,5-dihydro-5-oxofuran-2-acetate 2-oxo-2,5-dihydrofuran-5-acetate 4-carboxymethyl-4-hydroxyisocrotonolactone 5-oxo-2,5-dihydrofuran-2-acetate
CHEBI:58372 chebi:58372 HPEKPJGPWNSAAV-UHFFFAOYSA-M	muconolactone (5-oxo-2,5-dihydrofuran-2-yl)acetate 4-carboxylatomethyl-4-hydroxyisocrotonolactone 5-oxo-2,5-dihydro-2-furylacetate 5-oxo-2,5-dihydro-2-furylacetate anion 5-oxo-2,5-dihydro-2-furylacetate(1-)
chebi:11450 chebi:12150 chebi:19379 chebi:34016 chebi:39431 chebi:934 keggC:M_C04105 keggC:M_C14610 seedM:M_cpd02536 seedM:M_cpd19162 vmhM:M_25d5o2a vmhM:M_mucl	secondary/obsolete/fantasy identifier