Summary

IMPPAT Phytochemical identifier: IMPHY009413

Phytochemical name: Triacontane

Synonymous chemical names:
n-triacontane, triacontane, triacontane, n-, triacontane-n

External chemical identifiers:
CID:12535, ChEMBL:CHEMBL1482375, ChEBI:31006, ZINC:ZINC000006920422, FDASRS:47A73V7096, SureChEMBL:SCHEMBL198478, MolPort-002-509-594

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3

InChIKey:
JXTPJDDICSTXJX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.081

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Chemical structure download