Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014791

Phytochemical name: Pentyl linoleate

Synonymous chemical names:
pentyl linoleate

External chemical identifiers:
CID:CID_87133450, SureChEMBL:SCHEMBL618953

---

Chemical structure information

SMILES:
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCC

InChI:
InChI=1S/C23H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12-

InChIKey:
RWSPHQOPNBVTAO-UTJQPWESSA-N

DeepSMILES:
CCCCC/C=C\C/C=C\CCCCCCCC=O)OCCCCC

Functional groups:
C/C=C\C, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.828

---

Chemical structure download