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CHEBI:75126 - (1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol

ChEBI IDCHEBI:75126
ChEBI Name(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol
Stars
ASCII Name(1R,2R)-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 R configuration.
Last Modified25 February 2016
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-/m1/s1
InChIKeyOFBANDBMHLEMFA-XRKRLSELSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor  An EC 2.4.1.* (hexosyltransferase) inhibitor that interferes with the activity of ceramide glucosyltransferase (EC 2.4.1.80).
ChEBI Ontology
Outgoing Relation(s)
(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75126) has role EC 2.4.1.80 (ceramide glucosyltransferase) inhibitor (CHEBI:50382)
(1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75126) is a N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide (CHEBI:75125)
(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)
Incoming Relation(s)
DL-threo-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75132) has part (1R,2R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanol (CHEBI:75126)
(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)
IUPAC Name 
N-[(1R,2R)-1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide
Synonyms  Source
(R,R)-PPMPChEBI
(1R,2R)-PPMPChEBI
(1R,threo)-PPMPChEBI
(1R,threo)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanolChEBI
(R,R)-1-phenyl-2-palmitoylamino-3-morpholino-1-propanolChEBI
(1R,2R)-3-morpholino-2-palmitoylamino-1-phenylpropan-1-olChEBI
Manual XrefsDatabases
LSM-6690LINCS
Registry NumbersSources
Reaxys:15587489Reaxys
CAS:149022-18-4ChemIDplus
Citations