Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000449

Phytochemical name: Hexadecane

Synonymous chemical names:
hexadecane*, hexeadecane, Hexadecane, l-+-ascorbic acid, n-Hexadecane, hexadocosane, n-hexadecane, hexadecane

External chemical identifiers:
CID:CID_11006, ChEMBL:CHEMBL134994, ChEBI:CHEBI:45296, ZINC:ZINC000038141452, FDASRS:F8Z00SHP6Q, SureChEMBL:SCHEMBL22136, MolPort-001-779-919

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC

InChI:
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey:
DCAYPVUWAIABOU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC

Link to spectral information:
MSBNK-Fac_Eng_Univ_Tokyo-JP006884

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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: 0.153

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Chemical structure download