Summary

IMPPAT Phytochemical identifier: IMPHY016694

Phytochemical name: Isoamyl laurate

Synonymous chemical names:
isoamyl laurate

External chemical identifiers:
CID:61386, ChEBI:87343, ZINC:ZINC000085659453, FDASRS:M1SLX00M3M, SureChEMBL:SCHEMBL120186

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)OCCC(C)C

InChI:
InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

InChIKey:
FVKRIDSRWFEQME-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)OCCCC)C

Functional groups:
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: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.272

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Chemical structure download