Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001791

Phytochemical name: 2-Nonadecanone

Synonymous chemical names:
nonadecan-2-one, 2-nonadecanone

External chemical identifiers:
CID:CID_69423, ChEBI:CHEBI:88668, ZINC:ZINC000062234010, SureChEMBL:SCHEMBL162684, MolPort-003-912-681

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)C

InChI:
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3

InChIKey:
IEDKVDCIEARIIU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=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: 0.362

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Chemical structure download