CHEBI:29806 - fumarate(2−)

ChEBI IDCHEBI:29806
ChEBI Namefumarate(2−)
Stars
ASCII Namefumarate(2-)
DefinitionA C4-dicarboxylate that is the E-isomer of but-2-enedioate(2−)
Secondary ChEBI IDsCHEBI:14284, CHEBI:24122, CHEBI:42511
Last Modified20 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H2O4
Net Charge-2
Average Mass114.056
Monoisotopic Mass113.99641
SMILESO=C([O-])/C=C/C(=O)[O-]
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
fumarate(2−) (CHEBI:29806) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
fumarate(2−) (CHEBI:29806) has role human metabolite (CHEBI:77746)
fumarate(2−) (CHEBI:29806) has role metabolite (CHEBI:25212)
fumarate(2−) (CHEBI:29806) is a butenedioate (CHEBI:36180)
fumarate(2−) (CHEBI:29806) is a C4-dicarboxylate (CHEBI:61336)
fumarate(2−) (CHEBI:29806) is conjugate base of fumarate(1−) (CHEBI:37154)
Incoming Relation(s)
dihydroxyfumarate(2−) (CHEBI:17795) has functional parent fumarate(2−) (CHEBI:29806)
mesaconate(2−) (CHEBI:36986) has functional parent fumarate(2−) (CHEBI:29806)
disodium fumarate (CHEBI:115156) has part fumarate(2−) (CHEBI:29806)
fumarate(1−) (CHEBI:37154) is conjugate acid of fumarate(2−) (CHEBI:29806)
IUPAC Name 
(2E)-but-2-enedioate
Synonyms  Source
(E)-2-butenedioic acid, ion(2−)ChemIDplus
FUMARATEPDBeChem
(2E)-but-2-enedioateChEBI
UniProt Name  Source
fumarateUniProt
Manual XrefsDatabases
C00122KEGG COMPOUND
c0111UM-BBD
FUMPDBeChem
FUMMetaCyc
DB01677DrugBank
Registry NumbersSources
Gmelin:325288Gmelin
Reaxys:1861276Reaxys
CAS:142-42-7ChemIDplus
Citations