Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID002533

Phytochemical name: 2-Methyleicosane

Synonymous chemical names:
2-methyl eicosane, 2-Methyleicosane, heneicosane,iso, 2-methyl-eicosane, 2-methyleicosane

External chemical identifiers:
CID:CID_519146, ChEBI:CHEBI:132293, ZINC:ZINC000082042139, FDASRS:94A1IJ5F09, SureChEMBL:SCHEMBL4218791

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3

InChIKey:
MLKZKPUBHSWMNA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC)C

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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: 0.317

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Chemical structure download