Summary

IMPPAT Phytochemical identifier: IMPHY013988

Phytochemical name: 1-Pentatriacontanol

Synonymous chemical names:
pentatriacontanol

External chemical identifiers:
CID:558047, ZINC:ZINC000062240790, SureChEMBL:SCHEMBL3462305

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C35H72O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36/h36H,2-35H2,1H3

InChIKey:
KOZAWTKVXJYUKG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.208

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Chemical structure download