Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014968

Phytochemical name: Oxalic acid, allyl hexadecyl ester

Synonymous chemical names:
allyl hexadecyl ester oxalic acid

External chemical identifiers:
CID:CID_6420236

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C

InChI:
InChI=1S/C21H38O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-21(23)20(22)24-18-4-2/h4H,2-3,5-19H2,1H3

InChIKey:
CMTRXAQIIFRTCO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCOC=O)C=O)OCC=C

Functional groups:
COC(=O)C(=O)OC, C=CC

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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 Classifier Class: Wax monoesters

NP-Likeness score: 0.176

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Chemical structure download