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CHEBI:71315 - N'-monoacetylchitobiose-6'-phosphate(1−)

ChEBI IDCHEBI:71315
ChEBI NameN'-monoacetylchitobiose-6'-phosphate(1−)
Stars
ASCII NameN'-monoacetylchitobiose-6'-phosphate(1-)
DefinitionAn organophosphate oxoanion that is the conjugate base of N-monoacetylchitobiose-6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the free amino group; major species at pH 7.3.
Last Modified24 November 2014
SubmitterEugeni Belda
DownloadsMolfile
FormulaC14H26N2O13P
Net Charge-1
Average Mass461.337
Monoisotopic Mass461.11780
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H]([NH3+])C(O)O[C@@H]2CO)O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27N2O13P/c1-4(18)16-8-11(21)9(19)6(3-26-30(23,24)25)28-14(8)29-12-5(2-17)27-13(22)7(15)10(12)20/h5-14,17,19-22H,2-3,15H2,1H3,(H,16,18)(H2,23,24,25)/p-1/t5-,6-,7-,8-,9-,10-,11-,12-,13?,14+/m1/s1
InChIKeyYSOAJKLNVFWXBW-UEVOBBHASA-M
ChEBI Ontology
Outgoing Relation(s)
N'-monoacetylchitobiose-6'-phosphate(1−) (CHEBI:71315) is a organophosphate oxoanion (CHEBI:58945)
N'-monoacetylchitobiose-6'-phosphate(1−) (CHEBI:71315) is conjugate base of N'-monoacetylchitobiose-6'-phosphate (CHEBI:71317)
Incoming Relation(s)
N'-monoacetylchitobiose-6'-phosphate (CHEBI:71317) is conjugate acid of N'-monoacetylchitobiose-6'-phosphate(1−) (CHEBI:71315)
IUPAC Name 
2-acetamido-2-deoxy-6-O-phosphonato-β-D-glucopyranosyl-(1→4)-2-azaniumyl-2-deoxy-D-glucopyranose
Synonyms  Source
4-O-(2-acetamido-2-deoxy-6-O-phosphonato-β-D-glucopyranosyl)-2-azaniumyl-2-deoxy-D-glucopyranoseIUPAC
N-monoacetylchitobiose-6-phosphate(1−)ChEBI
N-monoacetylchitobiose-6-phosphateMetaCyc
UniProt Name  Source
N'-monoacetylchitobiose-6'-phosphateUniProt
Manual XrefsDatabases
CPD0-2501MetaCyc