Summary

IMPPAT Phytochemical identifier: IMPHY016755

Phytochemical name: Methyl tricosanoate

Synonymous chemical names:
methyl tricosanoate

External chemical identifiers:
CID:75519, ChEBI:143589, ZINC:ZINC000070455480, FDASRS:4V3POB2675, SureChEMBL:SCHEMBL891927, MolPort-003-939-690

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3

InChIKey:
VORKGRIRMPBCCZ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCC=O)OC

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: 0.185

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Chemical structure download