Summary

IMPPAT Phytochemical identifier: IMPHY009482

Phytochemical name: Nonacosane

Synonymous chemical names:
n-nonacosane, nonacosane, nonacosane*, nonacosane,n

External chemical identifiers:
CID:12409, ChEMBL:CHEMBL428955, ChEBI:7613, ZINC:ZINC000006920421, FDASRS:IGL1697BK1, SureChEMBL:SCHEMBL150511, MolPort-003-929-200

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C29H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3

InChIKey:
IGGUPRCHHJZPBS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.084

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Chemical structure download