Summary

IMPPAT Phytochemical identifier: IMPHY009481

Phytochemical name: Octacosane

Synonymous chemical names:
n-octacosane, octacosane, octacosane (c28), octacosane*, octacosane, n

External chemical identifiers:
CID:12408, ChEBI:32943, ZINC:ZINC000006920420, FDASRS:VFF49836P8, SureChEMBL:SCHEMBL105288, MolPort-002-485-404

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C28H58/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/h3-28H2,1-2H3

InChIKey:
ZYURHZPYMFLWSH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.087

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Chemical structure download