Summary

IMPPAT Phytochemical identifier: IMPHY011382

Phytochemical name: Methyl 10-oxo-11-octadecynoate

Synonymous chemical names:
methyl-10-oxo-11-octadecynoate

External chemical identifiers:
CID:85524814, ZINC:ZINC000086038040

---

Chemical structure information

SMILES:
CCCCCCC#CC(=O)CCCCCCCCC(=O)OC

InChI:
InChI=1S/C19H32O3/c1-3-4-5-6-9-12-15-18(20)16-13-10-7-8-11-14-17-19(21)22-2/h3-11,13-14,16-17H2,1-2H3

InChIKey:
GCYUDDVCAGNKCZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC#CC=O)CCCCCCCCC=O)OC

Functional groups:
CC#CC(C)=O, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.666

---

Chemical structure download