Summary

IMPPAT Phytochemical identifier: IMPHY002935

Phytochemical name: 1-Nonacosanol

Synonymous chemical names:
1-nonacosanol, non-acosanol, nonacosanol

External chemical identifiers:
CID:243696, ZINC:ZINC000062240772, FDASRS:KE2MXY103L, SureChEMBL:SCHEMBL16265

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C29H60O/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/h30H,2-29H2,1H3

InChIKey:
PKBSGDQYUYBUDY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

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: 0.25

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Chemical structure download