Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000613

Phytochemical name: Heneicosane

Synonymous chemical names:
n-heneicosane, n- heneicosane, n-heicosane, n-heneicosane*, heineicosane, henicosane, heneicosane, heneicosane, n, n-henicosane, n-Heneicosane, Heneicosane, n-heneicosane (c-21)

External chemical identifiers:
CID:CID_12403, ChEBI:CHEBI:32931, ZINC:ZINC000062233929, FDASRS:I93S5U5DMP, SureChEMBL:SCHEMBL198323, MolPort-003-929-227

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC

InChI:
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3

InChIKey:
FNAZRRHPUDJQCJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC

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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: 0.116

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Chemical structure download