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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_17418
http://purl.obolibrary.org/obo/CHEBI_17418
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_17418
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Preferred name
valeric acid
Synonyms
PENTANOIC ACID
n-valeric acid
Pentanoate
CH3-[CH2]3-COOH
pentanoic acid
Valeriansaeure
1-butanecarboxylic acid
valeric acid, normal
n-Valeric acid
n-Pentanoate
Valeric acid
propylacetic acid
Valerate
Pentanoic acid
n-pentanoic acid
pentoic acid
Valerianic acid
n-BuCOOH
Definitions
A straight-chain saturated fatty acid containing five carbon atoms.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:27264
CHEBI:7980
CHEBI:113448
CHEBI:43606
CHEBI:44803
CHEBI:27263
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCCC(O)=O
obo_purl:charge
0
obo_purl:inchikey
NQPDZGIKBAWPEJ-UHFFFAOYSA-N
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref
Reaxys:969454
Beilstein:969454
DrugBank:DB02406
KNApSAcK:C00001208
KEGG:C00803
PMID:20507156
Wikipedia:Valeric_acid
Gmelin:26714
CAS:109-52-4
PDBeChem:LEA
HMDB:HMDB0000892
PPDB:3130
LIPID_MAPS_instance:LMFA01010005
obo_purl:IAO_0000115
A straight-chain saturated fatty acid containing five carbon atoms.
skos:notation
CHEBI:17418
oboinowl_gen:hasExactSynonym
pentanoic acid
Valeric acid
obo_purl:mass
102.13170
obo_purl:inchi
InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
obo_purl:formula
C5H10O2
obo_purl:is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_31011
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
PENTANOIC ACID
n-valeric acid
Pentanoate
CH3-[CH2]3-COOH
Valeriansaeure
1-butanecarboxylic acid
valeric acid, normal
n-Valeric acid
n-Pentanoate
propylacetic acid
Valerate
Pentanoic acid
n-pentanoic acid
pentoic acid
Valerianic acid
n-BuCOOH
oboinowl_gen:id
CHEBI:17418
rdfs:label
valeric acid
obo_purl:monoisotopicmass
102.06808
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_39418
http://purl.obolibrary.org/obo/CHEBI_26666
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