Summary

IMPPAT Phytochemical identifier: IMPHY016237

Phytochemical name: 2-Hexadecanol

Synonymous chemical names:
2-hexadecanol

External chemical identifiers:
CID:85779, ChEMBL:CHEMBL446956, SureChEMBL:SCHEMBL259176

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(O)C

InChI:
InChI=1S/C16H34O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h16-17H,3-15H2,1-2H3

InChIKey:
FVDRFBGMOWJEOR-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCO)C

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: 0.749

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Chemical structure download