CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_45571 http://purl.obolibrary.org/obo/CHEBI_45571 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_45571 Loading
Preferred name	heptanoic acid
Synonyms	CH3-[CH2]5-COOH heptylic acid Heptansaeure enanthic acid n-heptylic acid HEPTANOIC ACID Oenanthsaeure heptoic acid n-heptanoic acid heptanoic acid oenanthic acid oenanthylic acid enanthylic acid n-heptoic acid
Definitions	A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.

oboinowl_gen:hasAlternativeId	CHEBI:24519 CHEBI:45568
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	CCCCCCC(O)=O
obo_purl:charge	0
obo_purl:inchikey	MNWFXJYAOYHMED-UHFFFAOYSA-N
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_76924
oboinowl_gen:hasDbXref	Wikipedia:Heptanoic_acid HMDB:HMDB0000666 Beilstein:1744723 KEGG:C17714 CAS:111-14-8 LIPID_MAPS_instance:LMFA01010007 Gmelin:142428 PMID:23999410 PDBeChem:SHV DrugBank:DB02938 Reaxys:1744723 MetaCyc:CPD-7619
obo_purl:IAO_0000115	A C7, straight-chain fatty acid that contributes to the odour of some rancid oils. Used in the preparation of esters for the fragrance industry, and as an additive in cigarettes.
skos:notation	CHEBI:45571
oboinowl_gen:hasExactSynonym	HEPTANOIC ACID heptanoic acid
obo_purl:mass	130.18486
obo_purl:inchi	InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
obo_purl:formula	C7H14O2
obo_purl:is_conjugate_acid_of	http://purl.obolibrary.org/obo/CHEBI_32362
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	CH3-[CH2]5-COOH heptylic acid Heptansaeure enanthic acid n-heptylic acid Oenanthsaeure heptoic acid n-heptanoic acid oenanthic acid oenanthylic acid enanthylic acid n-heptoic acid
oboinowl_gen:id	CHEBI:45571
rdfs:label	heptanoic acid
obo_purl:monoisotopicmass	130.09938
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_59554 http://purl.obolibrary.org/obo/CHEBI_39418

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