CHEBI | Classes | NFDI4Biodiversity BiodivPortal

ID	http://purl.obolibrary.org/obo/CHEBI_25629 http://purl.obolibrary.org/obo/CHEBI_25629 https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_25629 Loading
Preferred name	octadecanoate
Synonyms	octadecanoic acid, ion(1-) stearate octadecanoate stearic acid, ion(1-) CH3-[CH2]16-COO(-) Stearate
Definitions	A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry.

oboinowl_gen:hasAlternativeId	CHEBI:231588
oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	C(CCCCCCCCCC)CCCCCCC(=O)[O-]
obo_purl:charge	-1
obo_purl:inchikey	QIQXTHQIDYTFRH-UHFFFAOYSA-M
obo_purl:RO_0000087	http://purl.obolibrary.org/obo/CHEBI_77746 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_75772
oboinowl_gen:hasDbXref	PMID:7452460 KEGG:C01530 Reaxys:3590530 PMID:16401590 Beilstein:3590530 CAS:646-29-7 PMID:3180776 Gmelin:344065 MetaCyc:STEARIC_ACID PMID:19184617
obo_purl:IAO_0000115	A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry.
skos:notation	CHEBI:25629
oboinowl_gen:hasExactSynonym	octadecanoate
obo_purl:mass	283.470
obo_purl:inchi	InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/p-1
obo_purl:formula	C18H35O2
oboinowl_gen:hasOBONamespace	chebi_ontology
obo_purl:is_conjugate_base_of	http://purl.obolibrary.org/obo/CHEBI_28842
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym	octadecanoic acid, ion(1-) stearate stearic acid, ion(1-) CH3-[CH2]16-COO(-) Stearate
oboinowl_gen:id	CHEBI:25629
rdfs:label	octadecanoate
obo_purl:monoisotopicmass	283.26425
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_78125 http://purl.obolibrary.org/obo/CHEBI_83955 http://purl.obolibrary.org/obo/CHEBI_58954 http://purl.obolibrary.org/obo/CHEBI_57560

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