Summary

IMPPAT Phytochemical identifier: IMPHY000309

Phytochemical name: Dotriacontane

Synonymous chemical names:
dotriacontane, dotriacontane (c32), n-dotriacontane

External chemical identifiers:
CID:11008, ChEBI:36020, ZINC:ZINC000006920423, FDASRS:7KSV90RN23, SureChEMBL:SCHEMBL198511, MolPort-003-933-001

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3

InChIKey:
QHMGJGNTMQDRQA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.076

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Chemical structure download