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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_29806
http://purl.obolibrary.org/obo/CHEBI_29806
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_29806
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Preferred name
fumarate(2-)
Synonyms
(E)-2-butenedioic acid, ion(2-)
(2E)-but-2-enedioate
FUMARATE
fumarate
Definitions
A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:24122
CHEBI:14284
CHEBI:42511
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
[O-]C(=O)C=C\C([O-])=O
obo_purl:charge
-2
obo_purl:inchikey
VZCYOOQTPOCHFL-OWOJBTEDSA-L
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
http://purl.obolibrary.org/obo/CHEBI_77746
http://purl.obolibrary.org/obo/CHEBI_75772
oboinowl_gen:hasDbXref
Gmelin:325288
Reaxys:1861276
PDBeChem:FUM
PMID:17190852
PMID:15618158
PMID:16857679
DrugBank:DB01677
PMID:22405071
KEGG:C00122
PMID:22052553
MetaCyc:FUM
UM-BBD_compID:c0111
Beilstein:1861276
CAS:142-42-7
obo_purl:IAO_0000115
A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)
skos:notation
CHEBI:29806
oboinowl_gen:hasExactSynonym
(2E)-but-2-enedioate
obo_purl:mass
114.05628
obo_purl:inchi
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/p-2/b2-1+
obo_purl:formula
C4H2O4
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_37154
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
(E)-2-butenedioic acid, ion(2-)
(2E)-but-2-enedioate
FUMARATE
fumarate
oboinowl_gen:id
CHEBI:29806
rdfs:label
fumarate(2-)
obo_purl:monoisotopicmass
113.99641
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_36180
http://purl.obolibrary.org/obo/CHEBI_61336
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