Summary

IMPPAT Phytochemical identifier: IMPHY007601

Phytochemical name: 3-Methyleicosane

Synonymous chemical names:
3-methyleicosane

External chemical identifiers:
CID:98417, SureChEMBL:SCHEMBL10584212

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(CC)C

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

InChIKey:
GZCXIMGMPAZPPM-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: 0.53

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Chemical structure download