Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017996

Phytochemical name: 2-Methyloctacosane

Synonymous chemical names:
2-Methyloctacosane

External chemical identifiers:
CID:CID_519147, FDASRS:GQC0O92KJK, SureChEMBL:SCHEMBL4404171

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C29H60/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(2)3/h29H,4-28H2,1-3H3

InChIKey:
YGCGPCUUTAKOEU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC)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: 0.23

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Chemical structure download