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

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4-methylmuconolactone

	Properties	Image
MNX_ID	MNXM3182
reference	chebi:57888
formula	C₇H₇O₄
global charge	-1
mol weight	155.129
InChIKey	FIKLRROSHXQNFN-UHFFFAOYSA-M
InChI	InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/p-1
SMILES	CC1(CC(=O)[O-])C=CC(=O)O1

MNX internals

InChI (mnx)	InChI=1/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/t7?
SMILES (mnx)	[CH3:1][C:7]1([CH2:4][C:5](=[O:8])[OH:9])[CH:3]=[CH:2][C:6](=[O:10])[O:11]1

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:57888 chebi:57888 FIKLRROSHXQNFN-UHFFFAOYSA-M	4-methylmuconolactone (2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate 2-(2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetate 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide anion 4-carboxylatomethyl-4-methylbut-2-en-1,4-olide(1-)
envipath:...db46b4a48a37 envipathM:...db46b4a48a37 vmhM:4mmlctn vmhmetabolite:4mmlctn FIKLRROSHXQNFN-UHFFFAOYSA-M FIKLRROSHXQNFN-UHFFFAOYSA-N	4-Methylmuconolactone
kegg.compound:C04559 keggC:C04559 FIKLRROSHXQNFN-UHFFFAOYSA-N	4-Methylmuconolactone 4-Carboxymethyl-4-methylbut-2-en-1,4-olide
seed.compound:cpd02777 seedM:cpd02777 FIKLRROSHXQNFN-UHFFFAOYSA-M	4-Methylmuconolactone 4-Carboxymethyl-4-methylbut-2-en-1,4-olide 4-carboxymethyl-4-methylbut-2-en-1,4-olide 4-carboxymethyl-4-methylbut-2-en-4-olide 4-methyl-2-enelactone 4-methylmuconolactone
CHEBI:16766 chebi:16766 FIKLRROSHXQNFN-UHFFFAOYSA-N	4-carboxymethyl-4-methylbut-2-en-1,4-olide (2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid 4-Carboxymethyl-4-methylbut-2-en-1,4-olide 4-Methylmuconolactone 4-methylmuconolactone 5-carboxymethyl-5-methylfuran-2(5H)-one
metacyc.compound:CPD-10823 metacycM:CPD-10823 FIKLRROSHXQNFN-UHFFFAOYSA-M	4-methylmuconolactone 4-carboxymethyl-4-methylbut-2-en-1,4-olide 4-carboxymethyl-4-methylbut-2-en-4-olide 4-methyl-2-enelactone
chebi:11971 chebi:1799 chebi:20329 chebi:20448 keggC:M_C04559 seedM:M_cpd02777 vmhM:M_4mmlctn	secondary/obsolete/fantasy identifier