Summary

IMPPAT Phytochemical identifier: IMPHY002954

Phytochemical name: Tetratriacontane

Synonymous chemical names:
n-tetratriacontane, tetratriacontane

External chemical identifiers:
CID:26519, ChEBI:87443, ZINC:ZINC000006920424, FDASRS:94UA0738YX, SureChEMBL:SCHEMBL54696, MolPort-003-929-242

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C34H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChIKey:
GWVDBZWVFGFBCN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.072

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Chemical structure download