Summary

IMPPAT Phytochemical identifier: IMPHY015036

Phytochemical name: Tritriacontanoic acid pentadecyl ester

Synonymous chemical names:
pentadecyl tritriacontanoate

External chemical identifiers:
CID:102507264, ZINC:ZINC000085974380

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCC

InChI:
InChI=1S/C48H96O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48(49)50-47-45-43-41-39-37-35-16-14-12-10-8-6-4-2/h3-47H2,1-2H3

InChIKey:
IEVSCQNCFQDVFI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCCCC

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: 0.078

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Chemical structure download