CHEBI:84958 - 1,2-docosanediol

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ChEBI Name 1,2-docosanediol
ChEBI ID CHEBI:84958
Definition A glycol that is docosane bearing two hydroxy substituents located at positions 1 and 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H46O2
Net Charge 0
Average Mass 342.59940
Monoisotopic Mass 342.34978
InChI InChI=1S/C22H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)21-23/h22-24H,2-21H2,1H3
InChIKey DSTFRDBEOMKTOS-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCCCCCC(O)CO
ChEBI Ontology
Outgoing 1,2-docosanediol (CHEBI:84958) has parent hydride docosane (CHEBI:46050)
1,2-docosanediol (CHEBI:84958) is a glycol (CHEBI:13643)
IUPAC Name
docosane-1,2-diol
Synonym Source
1,2-dihydroxydocosane ChEBI
Manual Xref Database
LMFA05000081 LIPID MAPS
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Registry Numbers Types Sources
1909294 Reaxys Registry Number Reaxys
60742-66-7 CAS Registry Number ChemIDplus
Last Modified
20 February 2015