CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_32362 http://purl.obolibrary.org/obo/CHEBI_32362 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_32362 Loading
Preferred name	heptanoate
Synonyms	heptanoic acid, ion(1-) enanthate CH3-[CH2]5-COO(-) heptylate enanthylate n-heptoate n-heptylate oenanthate n-heptanoate heptanoate heptoate (7:0) oenanthylate 1-hexanecarboxylate
Definitions	A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CCCCCCC([O-])=O
obo_purl:charge	-1
obo_purl:inchikey	MNWFXJYAOYHMED-UHFFFAOYSA-M
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref	Gmelin:327115 CAS:7563-37-3 Beilstein:3903940 Reaxys:3903940 PMID:16141384 MetaCyc:CPD-7619
obo_purl:IAO_0000115	A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.
skos:notation	CHEBI:32362
oboinowl_gen:hasExactSynonym	heptanoate
obo_purl:mass	129.17692
obo_purl:inchi	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
obo_purl:formula	C7H13O2
oboinowl_gen:hasOBONamespace	chebi_ontology
obo_purl:is_conjugate_base_of	http://purl.obolibrary.org/obo/CHEBI_45571
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	heptanoic acid, ion(1-) enanthate CH3-[CH2]5-COO(-) heptylate enanthylate n-heptoate n-heptylate oenanthate n-heptanoate heptoate (7:0) oenanthylate 1-hexanecarboxylate
oboinowl_gen:id	CHEBI:32362
rdfs:label	heptanoate
obo_purl:monoisotopicmass	129.09210
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_58954 http://purl.obolibrary.org/obo/CHEBI_59558

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