Summary

IMPPAT Phytochemical identifier: IMPHY014216

Phytochemical name: n-Hentriacontan-4-one-10-ol

Synonymous chemical names:
n-hentriacontan-4-one-10-ol

External chemical identifiers:
CID:11305857

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(CCCCCC(=O)CCC)O

InChI:
InChI=1S/C31H62O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28-31(33)29-25-22-24-27-30(32)26-4-2/h31,33H,3-29H2,1-2H3

InChIKey:
YYMDYQRVMDHIKC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCC)))))))))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: 0.623

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Chemical structure download