Summary

IMPPAT Phytochemical identifier: IMPHY005207

Phytochemical name: Octatriacontane

Synonymous chemical names:
octatriacontane

External chemical identifiers:
CID:23599, ZINC:ZINC000086022768, FDASRS:9F9P0JAC5W, SureChEMBL:SCHEMBL197881

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C38H78/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3

InChIKey:
BVKCQBBZBGYNOP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.064

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Chemical structure download