Summary

IMPPAT Phytochemical identifier: IMPHY000188

Phytochemical name: 14-Heptacosanone

Synonymous chemical names:
14-heptacosanone, myristone

External chemical identifiers:
CID:10955, ZINC:ZINC000062238159, FDASRS:FQ5VC928NN, SureChEMBL:SCHEMBL353142, MolPort-003-912-745

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)CCCCCCCCCCCCC

InChI:
InChI=1S/C27H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

InChIKey:
VCZMOZVQLARCOE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)CCCCCCCCCCCCC

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: 0.292

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Chemical structure download