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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_28484
http://purl.obolibrary.org/obo/CHEBI_28484
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_28484
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Preferred name
isovaleric acid
Synonyms
3-Methylbutanoic acid
isobutylformic acid
Isovaleriansaeure
delphinic acid
3-methylbutanoic acid
isovalerianic acid
Isovalerate
3-Methylbuttersaeure
beta-methylbutyric acid
ISOVALERIC ACID
isopropylacetic acid
3-methyl-n-butyric acid
isopentanoic acid
3-methylbutyric acid
Isovaleric acid
Definitions
A C5, branched-chain saturated fatty acid.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:43426
CHEBI:24930
CHEBI:6069
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CC(C)CC(O)=O
obo_purl:charge
0
obo_purl:inchikey
GWYFCOCPABKNJV-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_75768
http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref
LIPID_MAPS_instance:LMFA01020181
KEGG:C08262
KNApSAcK:C00001189
CAS:503-74-2
PDBeChem:IVA
PMID:12743728
PPDB:3129
Beilstein:1098522
Gmelin:101117
DrugBank:DB03750
obo_purl:IAO_0000115
A C5, branched-chain saturated fatty acid.
skos:notation
CHEBI:28484
oboinowl_gen:hasExactSynonym
3-methylbutanoic acid
ISOVALERIC ACID
Isovaleric acid
obo_purl:mass
102.13170
obo_purl:inchi
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
obo_purl:formula
C5H10O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_48942
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
3-Methylbutanoic acid
isobutylformic acid
Isovaleriansaeure
delphinic acid
isovalerianic acid
Isovalerate
3-Methylbuttersaeure
beta-methylbutyric acid
isopropylacetic acid
3-methyl-n-butyric acid
isopentanoic acid
3-methylbutyric acid
oboinowl_gen:id
CHEBI:28484
rdfs:label
isovaleric acid
obo_purl:monoisotopicmass
102.06808
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_39417
http://purl.obolibrary.org/obo/CHEBI_26666
http://purl.obolibrary.org/obo/CHEBI_38653
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