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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_31011
http://purl.obolibrary.org/obo/CHEBI_31011
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_31011
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Preferred name
valerate
Synonyms
pentanoic acid, ion(1-)
n-propylacetate
CH3-[CH2]3-COO(-)
pentanoate
Definitions
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:14751
CHEBI:25890
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCC([O-])=O
obo_purl:charge
-1
obo_purl:inchikey
NQPDZGIKBAWPEJ-UHFFFAOYSA-M
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref
Gmelin:325619
CAS:10023-74-2
PMID:17314444
Beilstein:3903735
Reaxys:3903735
PMID:18783570
obo_purl:IAO_0000115
A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.
skos:notation
CHEBI:31011
oboinowl_gen:hasExactSynonym
pentanoate
obo_purl:mass
101.12376
obo_purl:inchi
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/p-1
obo_purl:formula
C5H9O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_17418
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
pentanoic acid, ion(1-)
n-propylacetate
CH3-[CH2]3-COO(-)
pentanoate
oboinowl_gen:id
CHEBI:31011
rdfs:label
valerate
obo_purl:monoisotopicmass
101.06080
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_58951
http://purl.obolibrary.org/obo/CHEBI_58954
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