Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000473

Phytochemical name: 2-Pentadecanone

Synonymous chemical names:
2-pentadecanone, pentadecan-2-one, 2-Pentadecanone, pentadecanone

External chemical identifiers:
CID:CID_61303, ChEMBL:CHEMBL3273567, ChEBI:CHEBI:89254, ZINC:ZINC000001850860, FDASRS:B2Q48J997N, SureChEMBL:SCHEMBL336157, MolPort-003-938-983

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)C

InChI:
InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3

InChIKey:
CJPNOLIZCWDHJK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)C

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: 0.452

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Chemical structure download