Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001201

Phytochemical name: 16-Hentriacontanone

Synonymous chemical names:
16-hentriacontanone, dipentadecyl ketone, 16-hentriacontane, palmitone, 16-hentriacontaneone, Palmitone, hentriacontan-16-one

External chemical identifiers:
CID:CID_94741, ChEBI:CHEBI:5658, ZINC:ZINC000008221066, FDASRS:GR7I8IC3NO, SureChEMBL:SCHEMBL352951, MolPort-003-906-056

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C31H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

InChIKey:
UNRFDARCMOHDBJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCC

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.256

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Chemical structure download