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

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fumarate

	Properties	Image
MNX_ID	MNXM737340
reference	chebi:29806
formula	C₄H₂O₄
global charge	-2
mol weight	114.056
InChIKey	VZCYOOQTPOCHFL-OWOJBTEDSA-L
InChI	InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
SMILES	O=C([O-])/C=C/C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
SMILES (mnx)	[CH:1](=[CH:2]/[C:4](=[O:7])[OH:8])\[C:3](=[O:5])[OH:6]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	114
in models (compartimentalized)	75

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-113588 reactomeM:R-ALL-113588 reactome:R-ALL-29586 reactomeM:R-ALL-29586 CHEBI:29806 chebi:29806 VZCYOOQTPOCHFL-OWOJBTEDSA-L	fumarate (2E)-but-2-enedioate (E)-2-butenedioic acid, ion(2-) FUMARATE fumarate(2-)
bigg.metabolite:fum biggM:fum envipath:...06428f6be14b envipathM:...06428f6be14b SLM:000389686 slm:000389686 VZCYOOQTPOCHFL-OWOJBTEDSA-L VZCYOOQTPOCHFL-UHFFFAOYSA-L	Fumarate
vmhM:fum vmhmetabolite:fum VZCYOOQTPOCHFL-OWOJBTEDSA-L	Fumarate (2E)-but-2-enedioic acid
seed.compound:cpd00106 seedM:cpd00106 VZCYOOQTPOCHFL-OWOJBTEDSA-L	Fumarate Fumaric acid fum fumarate fumaric acid trans-Butenedioic acid
kegg.compound:C00122 keggC:C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N	Fumarate Fumaric acid trans-Butenedioic acid
sabiork.compound:1910 sabiorkM:1910 VZCYOOQTPOCHFL-OWOJBTEDSA-L	Fumarate Fumaric acid trans-Butenedioic acid trans-butenedioic acid
kegg.drug:D02308 keggD:D02308 VZCYOOQTPOCHFL-OWOJBTEDSA-N	Fumaric acid (NF)
hmdb:HMDB0000134 VZCYOOQTPOCHFL-OWOJBTEDSA-N	Fumaric acid (2E)-2-Butenedioate (2E)-2-Butenedioic acid (2E)-But-2-enedioate (2E)-But-2-enedioic acid (2E)-but-2-enedioic acid (e)-2-Butenedioate (e)-2-Butenedioic acid 2-(e)-Butenedioate 2-(e)-Butenedioic acid Allomaleate Allomaleic acid Boletate Boletic acid FC 33 Fumarate Fumarsaeure Furamag Lichenate Lichenic acid Mafusol e297 fumaric acid trans-1,2-Ethylenedicarboxylate trans-1,2-Ethylenedicarboxylic acid trans-2-Butenedioate trans-2-Butenedioic acid trans-But-2-enedioate trans-But-2-enedioic acid trans-Butenedioate trans-Butenedioic acid
CHEBI:37154 chebi:37154 VZCYOOQTPOCHFL-OWOJBTEDSA-M	fumarate(1-) (2E)-3-carboxyacrylate (2E)-3-carboxyprop-2-enoate fumarate monoanion hydrogen fumarate
metacyc.compound:FUM metacycM:FUM VZCYOOQTPOCHFL-OWOJBTEDSA-L	fumarate fum fumaric acid
CHEBI:18012 chebi:18012 VZCYOOQTPOCHFL-OWOJBTEDSA-N	fumaric acid (2E)-2-butenedioic acid (2E)-but-2-enedioic acid (E)-2-butenedioic acid E297 FUMARIC ACID Fumaric acid Fumarsaeure trans-1,2-ethylenedicarboxylic acid trans-Butenedioic acid trans-but-2-enedioic acid trans-ethene-1,2-dioic acid
hmdb:HMDB00134 chebi:14284 chebi:24122 chebi:24124 chebi:42511 chebi:42743 chebi:5190 biggM:M_fum keggC:M_C00122 keggD:M_D02308 seedM:M_cpd00106 vmhM:M_fum	secondary/obsolete/fantasy identifier