Summary

IMPPAT Phytochemical identifier: IMPHY009864

Phytochemical name: Methyl 14-methylpentadecanoate

Synonymous chemical names:
methyl 14-methylpentadecanoate

External chemical identifiers:
CID:21205, ChEBI:157641, ZINC:ZINC000004557092, SureChEMBL:SCHEMBL2259435, MolPort-035-882-144

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Chemical structure information

SMILES:
COC(=O)CCCCCCCCCCCCC(C)C

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

InChIKey:
WAKCWJNDXBPEBP-UHFFFAOYSA-N

DeepSMILES:
COC=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: 0.409

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Chemical structure download