Summary

IMPPAT Phytochemical identifier: IMPHY017457

Phytochemical name: Methoxyacetic acid, 2-tridecyl ester

Synonymous chemical names:
2-tridecylmethoxyacetic acid ester

External chemical identifiers:
CID:545728

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Chemical structure information

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

InChI:
InChI=1S/C16H32O3/c1-4-5-6-7-8-9-10-11-12-13-15(2)19-16(17)14-18-3/h15H,4-14H2,1-3H3

InChIKey:
AASSBBIUTIYGDU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCOC=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: 0.176

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Chemical structure download