Summary

IMPPAT Phytochemical identifier: IMPHY004519

Phytochemical name: Methyl Tritriacontanoate

Synonymous chemical names:
methyl tritriacontanoate, methyltritriacontanoate

External chemical identifiers:
CID:5214825, SureChEMBL:SCHEMBL3503178

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C34H68O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36-2/h3-33H2,1-2H3

InChIKey:
YQRKUEGITMAUCT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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 Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.134

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Chemical structure download