CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_48942 http://purl.obolibrary.org/obo/CHEBI_48942 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_48942 Loading
Preferred name	isovalerate
Synonyms	isovalerianate isovalerate 3-methyl-n-butyrate isopropylacetate 3-methylbutanoate 3-methylbutyrate delphinate isopentanoate beta-methylbutyrate
Definitions	A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CC(C)CC([O-])=O
obo_purl:charge	-1
obo_purl:inchikey	GWYFCOCPABKNJV-UHFFFAOYSA-M
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_75768 http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref	Beilstein:773692 PMID:19138353
obo_purl:IAO_0000115	A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.
skos:notation	CHEBI:48942
oboinowl_gen:hasExactSynonym	isovalerate 3-methylbutanoate
obo_purl:mass	101.12376
obo_purl:inchi	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(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_28484
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	isovalerianate 3-methyl-n-butyrate isopropylacetate 3-methylbutyrate delphinate isopentanoate beta-methylbutyrate
oboinowl_gen:id	CHEBI:48942
rdfs:label	isovalerate
obo_purl:monoisotopicmass	101.06080
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_58951 http://purl.obolibrary.org/obo/CHEBI_83972 http://purl.obolibrary.org/obo/CHEBI_58956

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