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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_24309
http://purl.obolibrary.org/obo/CHEBI_24309
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_24309
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Preferred name
glutaconic acid
Synonyms
pent-2-enedioic acid
Glutaconic acid
2-Pentenedioic acid
Pent-2-ene-1,5-dioic acid
Definitions
A pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5.
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
[H]C(CC(O)=O)=CC(O)=O
obo_purl:charge
0
obo_purl:inchikey
XVOUMQNXTGKGMA-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
PMID:21431622
CAS:1724-02-3
PMID:853337
Reaxys:1759560
PMID:23859237
obo_purl:IAO_0000115
A pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5.
skos:notation
CHEBI:24309
oboinowl_gen:hasExactSynonym
pent-2-enedioic acid
Glutaconic acid
obo_purl:mass
130.09874
obo_purl:inchi
InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)
obo_purl:formula
C5H6O4
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_36462
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
2-Pentenedioic acid
Pent-2-ene-1,5-dioic acid
oboinowl_gen:id
CHEBI:24309
rdfs:label
glutaconic acid
obo_purl:monoisotopicmass
130.02661
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_36129
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