Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018145

Phytochemical name: Methoxyacetic acid, 2-tetradecyl ester

Synonymous chemical names:
Methoxyacetic acid, 2-tetradecyl ester

External chemical identifiers:
CID:CID_545729

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Chemical structure information

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

InChI:
InChI=1S/C17H34O3/c1-4-5-6-7-8-9-10-11-12-13-14-16(2)20-17(18)15-19-3/h16H,4-15H2,1-3H3

InChIKey:
XNUNYMFXCQTEMD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCOC=O)COC)))))C

Functional groups:
COC, 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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP-Likeness score: 0.167

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Chemical structure download