Summary
IMPPAT Phytochemical identifier: IMPHY012032
Phytochemical name: 17-Octadecynoic acid
Synonymous chemical names:17-octadecynoic acid
External chemical identifiers:CID:1449, ChEMBL:CHEMBL182310, ChEBI:142447, ZINC:ZINC000003870662, SureChEMBL:SCHEMBL979048, MolPort-003-959-112
Chemical structure information
SMILES:
C#CCCCCCCCCCCCCCCCC(=O)OInChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h1H,3-17H2,(H,19,20)InChIKey:
DZIILFGADWDKMF-UHFFFAOYSA-NDeepSMILES:
C#CCCCCCCCCCCCCCCCC=O)OFunctional groups:
C#CC, CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acids and conjugates
NP-Likeness score: 0.354
Chemical structure download
