EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:46965 - (2R,3S)-2-aminooctadec-4-ene-1,3-diol

ChEBI IDCHEBI:46965
ChEBI Name(2R,3S)-2-aminooctadec-4-ene-1,3-diol
Stars
ASCII Name(2R,3S)-2-aminooctadec-4-ene-1,3-diol
DefinitionA 2-aminooctadec-4-ene-1,3-diol having (2R,3S)-configuration.
Last Modified22 February 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H37NO2
Net Charge0
Average Mass299.499
Monoisotopic Mass299.28243
SMILES[H]C(CCCCCCCCCCCCC)=C([H])[C@H](O)[C@H](N)CO
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m1/s1
InChIKeyWWUZIQQURGPMPG-MSOLQXFVSA-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)
(2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965) is a 2-aminooctadec-4-ene-1,3-diol (CHEBI:46964)
(2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965) is enantiomer of sphing-4-enine (CHEBI:26743)
Incoming Relation(s)
(2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol (CHEBI:45719) is a (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965)
L-erythro-sphingosine (CHEBI:46967) is a (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965)
sphing-4-enine (CHEBI:26743) is enantiomer of (2R,3S)-2-aminooctadec-4-ene-1,3-diol (CHEBI:46965)
IUPAC Name 
(2R,3S)-2-aminooctadec-4-ene-1,3-diol
Registry NumbersSources
Reaxys:8112208Reaxys