Summary

IMPPAT Phytochemical identifier: IMPHY005736

Phytochemical name: 10-Hydroxy-16-hentriacontanone

Synonymous chemical names:
10-hydroxypalmitone, n-hentriacontan-10-ol-16-one(10-hydroxypalmitone)

External chemical identifiers:
CID:22561416, SureChEMBL:SCHEMBL4624203

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)CCCCCC(CCCCCCCCC)O

InChI:
InChI=1S/C31H62O2/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-31(33)29-25-21-24-28-30(32)26-22-19-17-10-8-6-4-2/h30,32H,3-29H2,1-2H3

InChIKey:
QFHNVRXMVIWOFO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCC)))))))))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: 0.559

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Chemical structure download