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CHEBI:38406 - 4-nitrophenyl N-acetyl-β-D-galactosaminide

ChEBI IDCHEBI:38406
ChEBI Name4-nitrophenyl N-acetyl-β-D-galactosaminide
Stars
ASCII Name4-nitrophenyl N-acetyl-beta-D-galactosaminide
DefinitionAn N-acetyl-β-D-galactosaminide having a 4-nitrophenyl substituent at the anomeric position.
Secondary ChEBI IDCHEBI:60309
Last Modified25 October 2017
SubmitterMarcus Ennis, Steve
DownloadsMolfile
FormulaC14H18N2O8
Net Charge0
Average Mass342.304
Monoisotopic Mass342.10632
SMILESCC(=O)N[C@H]1[C@H](Oc2ccc([N+](=O)[O-])cc2)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12+,13-,14-/m1/s1
InChIKeyOMRLTNCLYHKQCK-RKQHYHRCSA-N
ChEBI Ontology
Outgoing Relation(s)
4-nitrophenyl N-acetyl-β-D-galactosaminide (CHEBI:38406) is a N-acetyl-β-D-galactosaminide (CHEBI:28451)
IUPAC Name 
4-nitrophenyl 2-acetamido-2-deoxy-β-D-galactopyranoside
Registry NumbersSources
Reaxys:96194Reaxys
CAS:14948-96-0ChemIDplus
Citations