Summary

IMPPAT Phytochemical identifier: IMPHY002582

Phytochemical name: Nonadecanoic acid (tetratriacontan-1-yl) ester

Synonymous chemical names:
tetratriacontanyl nonadecanoate

External chemical identifiers:
CID:14633237, ZINC:ZINC000086046717

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C53H106O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-38-40-42-44-46-48-50-52-55-53(54)51-49-47-45-43-41-39-37-20-18-16-14-12-10-8-6-4-2/h3-52H2,1-2H3

InChIKey:
LLVUYTSXTGPLQB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC=O)CCCCCCCCCCCCCCCCCC

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: 0.071

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Chemical structure download