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

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2-carboxy-5-formylfuran

	Properties	Image
MNX_ID	MNXM97412
reference	chebi:83387
formula	C₆H₃O₄
global charge	-1
mol weight	139.086
InChIKey	SHNRXUWGUKDPMA-UHFFFAOYSA-M
InChI	InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)/p-1
SMILES	O=CC1=CC=C(C(=O)[O-])O1

MNX internals

InChI (mnx)	InChI=1/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
SMILES (mnx)	[CH:1]1=[C:4]([CH:3]=[O:7])[O:10][C:5]([C:6]([OH:8])=[O:9])=[CH:2]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83387 chebi:83387 SHNRXUWGUKDPMA-UHFFFAOYSA-M	2-carboxy-5-formylfuran 2-carboxylato-5-formylfuran 5-formyl-2-furoate
kegg.compound:C20449 keggC:C20449 SHNRXUWGUKDPMA-UHFFFAOYSA-N	5-Formyl-2-furoate 5-Formyl-2-furancarboxylate 5-Formylfuran-2-carboxylate
seed.compound:cpd24181 seedM:cpd24181 SHNRXUWGUKDPMA-UHFFFAOYSA-M	5-formyl-2-furoate 2-carboxy-5-formyluran 5-Formyl-2-furancarboxylate 5-Formyl-2-furoate 5-formyl-2-furancarboxylate 5-formyl-2-furancarboxylic acid 5-formyl-2-furoic acid 5-formylfuran-2-carboxylate
CHEBI:84206 chebi:84206 SHNRXUWGUKDPMA-UHFFFAOYSA-N	5-formyl-2-furoic acid 2-carboxy-5-formylfuran 5-formyl-2-furancarboxylic acid dehydromucic acid semialdehyde
metacyc.compound:CPD-14104 metacycM:CPD-14104 SHNRXUWGUKDPMA-UHFFFAOYSA-M	5-formylfuran-2-carboxylate 2-carboxy-5-formyluran 5-formyl-2-furancarboxylate 5-formyl-2-furancarboxylic acid 5-formyl-2-furoate 5-formyl-2-furoic acid
keggC:M_C20449 seedM:M_cpd24181	secondary/obsolete/fantasy identifier