Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000382

Phytochemical name: 1-Hentriacontanol

Synonymous chemical names:
hentriacontanol, n-hentriacontanol, hentriacontanol-1, 14-hentriacontanol, hentriacontan-1-ol, hentriacontanol-l, hentricontanol, 1-hentriacontanol

External chemical identifiers:
CID:CID_68345, ChEBI:CHEBI:27640, FDASRS:3P76DL514D, SureChEMBL:SCHEMBL438996

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C31H64O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h32H,2-31H2,1H3

InChIKey:
ROOBHHSRWJOKSH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO

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: 0.235

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Chemical structure download