CHEBI:75131 - (1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol

ChEBI IDCHEBI:75131
ChEBI Name(1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
Stars
ASCII Name(1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
DefinitionAn N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide in which both stereocentres have S configuration.
Last Modified23 August 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H50N2O3
Net Charge0
Average Mass474.730
Monoisotopic Mass474.38214
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1
InChIInChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32)/t27-,29-/m0/s1
InChIKeyOFBANDBMHLEMFA-YTMVLYRLSA-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)
(1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75131) is a N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide (CHEBI:75125)
(1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75131) is enantiomer of (1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75126)
Incoming Relation(s)
DL-threo-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75132) has part (1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75131)
(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75126) is enantiomer of (1S,2S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75131)
IUPAC Name 
N-[(1S,2S)-1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide
Synonyms  Source
(1S,threo)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanolChemIDplus
(1S,threo)-PPMPChemIDplus
(S,S)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanolChemIDplus
(1S,2S)-2-hexadecanoylamino-3-morpholino-1-phenylpropan-1-olChemIDplus
(1S,2S)-PPMPChemIDplus
(S,S)-PPMPChemIDplus
Registry NumbersSources
Reaxys:7910702Reaxys