Summary

IMPPAT Phytochemical identifier: IMPHY009563

Phytochemical name: Tetradecyl 13-methylpentadecanoate

Synonymous chemical names:
tetradecyl 13-methylpentadecanoate, tetradecyl-13-methylpentadecanoate

External chemical identifiers:
CID:129848051

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C30H60O2/c1-4-6-7-8-9-10-11-12-16-19-22-25-28-32-30(31)27-24-21-18-15-13-14-17-20-23-26-29(3)5-2/h29H,4-28H2,1-3H3

InChIKey:
JRWSMOQVJISBIR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCC))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: 0.394

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Chemical structure download