Summary

IMPPAT Phytochemical identifier: IMPHY014933

Phytochemical name: 12-Hentriacontanol

Synonymous chemical names:
hentriacontan-12-ol

External chemical identifiers:
CID:71350465

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCC)O

InChI:
InChI=1S/C31H64O/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-31(32)29-27-25-23-21-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3

InChIKey:
JWCYAXPQYDKVQD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))))))))O

Functional groups:
CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.397

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Chemical structure download