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

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2-oxo-2H-pyran-4,6-dicarboxylate

	Properties	Image
MNX_ID	MNXM1211
reference	chebi:58304
formula	C₇H₂O₆
global charge	-2
mol weight	182.087
InChIKey	VRMXCPVFSJVVCA-UHFFFAOYSA-L
InChI	InChI=1S/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)/p-2
SMILES	O=C1C=C(C(=O)[O-])C=C(C(=O)[O-])O1

MNX internals

InChI (mnx)	InChI=1/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
SMILES (mnx)	[CH:1]1=[C:4]([C:7]([OH:11])=[O:12])[O:13][C:5](=[O:8])[CH:2]=[C:3]1[C:6](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58304 chebi:58304 VRMXCPVFSJVVCA-UHFFFAOYSA-L	2-oxo-2H-pyran-4,6-dicarboxylate 2-oxo-2H-pyran-4,6-dicarboxylate dianion
envipath:...964890cfd149 envipathM:...964890cfd149 kegg.compound:C03671 keggC:C03671 vmhM:2p46dcxlt vmhmetabolite:2p46dcxlt VRMXCPVFSJVVCA-UHFFFAOYSA-L VRMXCPVFSJVVCA-UHFFFAOYSA-N	2-Pyrone-4,6-dicarboxylate
seed.compound:cpd02304 seedM:cpd02304 VRMXCPVFSJVVCA-UHFFFAOYSA-L	2-Pyrone-4,6-dicarboxylate 2-oxo-2H-pyran-4,6-dicarboxylate 2-pyrone-4,6-dicarboxylate 2-pyrone-4,6-dicarboxylic acid alpha-pyrone-4,6-dicarboxylate alpha-pyrone-4,6-dicarboxylic acid
CHEBI:17872 chebi:17872 VRMXCPVFSJVVCA-UHFFFAOYSA-N	2-oxo-2H-pyran-4,6-dicarboxylic acid 2-Pyrone-4,6-dicarboxylate
metacyc.compound:CPD-184 metacycM:CPD-184 VRMXCPVFSJVVCA-UHFFFAOYSA-L	2-pyrone-4,6-dicarboxylate 2-oxo-2H-pyran-4,6-dicarboxylate 2-pyrone-4,6-dicarboxylic acid alpha-pyrone-4,6-dicarboxylate alpha-pyrone-4,6-dicarboxylic acid
chebi:11655 chebi:1275 chebi:19774 keggC:M_C03671 seedM:M_cpd02304 vmhM:M_2p46dcxlt	secondary/obsolete/fantasy identifier