Summary

IMPPAT Phytochemical identifier: IMPHY015352

Phytochemical name: 3-Methylheneicosane

Synonymous chemical names:
3- methyl heneicosane, 3-methyl-heneicosane, 3-methylhenicosane

External chemical identifiers:
CID:522120, SureChEMBL:SCHEMBL11060098

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCC(CC)C

InChI:
InChI=1S/C22H46/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(3)5-2/h22H,4-21H2,1-3H3

InChIKey:
OSJUENOXPFOHLF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC))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: 0.506

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Chemical structure download