Summary

IMPPAT Phytochemical identifier: IMPHY015886

Phytochemical name: Pentyl linoleate

Synonymous chemical names:
pentyl linoleate

External chemical identifiers:
CID:87133450, SureChEMBL:SCHEMBL618953

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Chemical structure information

SMILES:
CCCCC/C=CC/C=CCCCCCCCC(=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=CC/C=CCCCCCCCC=O)OCCCCC

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

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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

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Chemical structure download