Summary

IMPPAT Phytochemical identifier: IMPHY009377

Phytochemical name: Pentacosane

Synonymous chemical names:
n-pentacosane, n-pentacosane (c-25), n-pentacosane*, pentacosane, pentacosane*, pentacosane, n, pentacosane, n-, pentacosane,n

External chemical identifiers:
CID:12406, ChEBI:32938, ZINC:ZINC000006920418, FDASRS:BON9H94Y8V, SureChEMBL:SCHEMBL198343, MolPort-003-929-240

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3

InChIKey:
YKNWIILGEFFOPE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.098

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Chemical structure download