Summary

IMPPAT Phytochemical identifier: IMPHY014210

Phytochemical name: n-Nonacosan-4-ol-18-one

Synonymous chemical names:
n-nonacosan-4-ol-18-one

External chemical identifiers:
CID:11212800

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)CCCCCCCCCCCCCC(CCC)O

InChI:
InChI=1S/C29H58O2/c1-3-5-6-7-8-12-15-19-22-26-29(31)27-23-20-17-14-11-9-10-13-16-18-21-25-28(30)24-4-2/h28,30H,3-27H2,1-2H3

InChIKey:
NKVTYAQSEJBFHE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)CCCCCCCCCCCCCCCCC)))O

Functional groups:
CC(C)=O, 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, Oxygenated hydrocarbons

NP-Likeness score: 0.703

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Chemical structure download