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CHEBI:59317 - N-acetyl-D-galactosamine-6-phosphocholine

ChEBI IDCHEBI:59317
ChEBI NameN-acetyl-D-galactosamine-6-phosphocholine
Stars
ASCII NameN-acetyl-D-galactosamine-6-phosphocholine
DefinitionA galactose phosphate consisting of N-acetyl-D-galactosamine having a choline phosphate group at the 6-position.
Last Modified18 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H28N2O9P
Net Charge+1
Average Mass387.346
Monoisotopic Mass387.15269
SMILESCC(=O)N[C@H]1C(O)O[C@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H27N2O9P/c1-8(16)14-10-12(18)11(17)9(24-13(10)19)7-23-25(20,21)22-6-5-15(2,3)4/h9-13,17-19H,5-7H2,1-4H3,(H-,14,16,20,21)/p+1/t9-,10-,11+,12-,13?/m1/s1
InChIKeyVGSHXNQBJVLXRV-HENWMNBSSA-O
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-D-galactosamine-6-phosphocholine (CHEBI:59317) has functional parent N-acetyl-D-galactosamine (CHEBI:28037)
N-acetyl-D-galactosamine-6-phosphocholine (CHEBI:59317) is a galactose phosphate (CHEBI:20960)
N-acetyl-D-galactosamine-6-phosphocholine (CHEBI:59317) is a phosphocholines (CHEBI:36700)
IUPAC Name 
2-acetamido-2-deoxy-6-O-{hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}-D-galactopyranose
Synonym  Source
GalNAc-ChoPChEBI
Manual XrefsDatabases
WO2006003518Patent
CA2511084Patent
Citations