Isanic acid (CHEBI:197116)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Isanic acid

ChEBI ID	CHEBI:197116

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O2

Net Charge

Average Mass

274.404

Monoisotopic Mass

274.19328

InChI

InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2H,1,3-6,11-17H2,(H,19,20)

InChIKey

OASRDXXKKGHDJZ-UHFFFAOYSA-N

SMILES

OC(=O)CCCCCCCC#CC#CCCCCC=C

Metabolite of Species	Details
Cannabis sativa (NCBI:txid3483)	Found in inflorescence (BTO:0000628). of strain Cannabis sativa var. DMG265 See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	Isanic acid (CHEBI:197116) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

octadec-17-en-9,11-diynoic acid