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CHEBI:64907 - 2-aminoicosane-1,3-diol

ChEBI IDCHEBI:64907
ChEBI Name2-aminoicosane-1,3-diol
Stars
DefinitionAn aminodiol that is icosane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.
Last Modified15 April 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H43NO2
Net Charge0
Average Mass329.569
Monoisotopic Mass329.32938
SMILESCCCCCCCCCCCCCCCCCC(O)C(N)CO
InChIInChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3
InChIKeyUFMHYBVQZSPWSS-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-aminoicosane-1,3-diol (CHEBI:64907) has functional parent icosane (CHEBI:43619)
2-aminoicosane-1,3-diol (CHEBI:64907) is a aminodiol (CHEBI:22501)
2-aminoicosane-1,3-diol (CHEBI:64907) is a sphingoid (CHEBI:35785)
Incoming Relation(s)
C20 sphinganine (CHEBI:64905) is a 2-aminoicosane-1,3-diol (CHEBI:64907)
IUPAC Name 
2-aminoicosane-1,3-diol
Synonyms  Source
2-aminoeicosane-1,3-diolChEBI
2-amino-1,3-eicosanediolChEBI