Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000450

Phytochemical name: 1-Hexadecanol

Synonymous chemical names:
Cetyl Alcohol, hexadecan-1-ol, hexadecanol*, cetyl alcohol, 1-hexadecanol, hexadecanol, 1-Hexadecanol, 1.11-hexadecanol

External chemical identifiers:
CID:CID_2682, ChEMBL:CHEMBL706, ChEBI:CHEBI:16125, ZINC:ZINC000008214519, FDASRS:936JST6JCN, SureChEMBL:SCHEMBL3381, MolPort-001-783-290

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3

InChIKey:
BXWNKGSJHAJOGX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCO

Functional groups:
CO

Link to spectral information:
MSBNK-Osaka_Univ-OUF00006, MSBNK-Fac_Eng_Univ_Tokyo-JP008108

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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: 0.442

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Chemical structure download