Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000249

Phytochemical name: Hentriacontane

Synonymous chemical names:
hentriacoantane, Hentriacontane, hentriacontane, n, hentri-acontane, hentriacontanc, untriacontane, n-hentriacontane, hentriacontane

External chemical identifiers:
CID:CID_12410, ChEMBL:CHEMBL257490, ChEBI:CHEBI:5659, ZINC:ZINC000008221060, FDASRS:6SDG640HL3, SureChEMBL:SCHEMBL147787, MolPort-002-510-447

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C31H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3

InChIKey:
IUJAMGNYPWYUPM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

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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: 0.079

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Chemical structure download