Summary

IMPPAT Phytochemical identifier: IMPHY016711

Phytochemical name: Isopropyl palmitate

Synonymous chemical names:
isopropyl hexadecanoate, isopropyl palmitate

External chemical identifiers:
CID:8907, ChEMBL:CHEMBL139055, ChEBI:84262, ZINC:ZINC000008214589, FDASRS:8CRQ2TH63M, SureChEMBL:SCHEMBL7743, MolPort-003-929-332

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC(C)C

InChI:
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3

InChIKey:
XUGNVMKQXJXZCD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCC)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: 0.014

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Chemical structure download