Summary

IMPPAT Phytochemical identifier: IMPHY009564

Phytochemical name: OC(Ccccccccccccccccc(ccccc)=O)ccccccc

Synonymous chemical names:
8-hydroxytriacontan-25-one

External chemical identifiers:
CID:129848057

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Chemical structure information

SMILES:
CCCCCCCC(CCCCCCCCCCCCCCCCC(=O)CCCCC)O

InChI:
InChI=1S/C30H60O2/c1-3-5-7-18-22-26-30(32)28-24-20-17-15-13-11-9-8-10-12-14-16-19-23-27-29(31)25-21-6-4-2/h30,32H,3-28H2,1-2H3

InChIKey:
WVDYNOYQFARZNA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCC))))))))))))))))))))))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: 0.577

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Chemical structure download