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CHEBI:46968 - 2-aminooctadecane-1,3-diol

ChEBI IDCHEBI:46968
ChEBI Name2-aminooctadecane-1,3-diol
Stars
DefinitionAn aminodiol that is octadecane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.
Last Modified15 April 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H39NO2
Net Charge0
Average Mass301.515
Monoisotopic Mass301.29808
SMILESCCCCCCCCCCCCCCCC(O)C(N)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3
InChIKeyOTKJDMGTUTTYMP-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-aminooctadecane-1,3-diol (CHEBI:46968) is a aminodiol (CHEBI:22501)
2-aminooctadecane-1,3-diol (CHEBI:46968) is a sphingoid (CHEBI:35785)
Incoming Relation(s)
sphinganine (CHEBI:16566) is a 2-aminooctadecane-1,3-diol (CHEBI:46968)
IUPAC Name 
2-aminooctadecane-1,3-diol
Synonym  Source
2-amino-1,3-octadecanediolChEBI
Registry NumbersSources
Beilstein:1772584Beilstein