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CHEBI:57929 - 7''-O-phosphohygromycin B(1+)

ChEBI IDCHEBI:57929
ChEBI Name7''-O-phosphohygromycin B(1+)
Stars
DefinitionConjugate acid of 7''-O-phosphohygromycin B arising from protonation of the three amino groups and deprotonation of the phosphate OH groups; major species at pH 7.3.
Last Modified8 July 2015
DownloadsMolfile
FormulaC20H39N3O16P
Net Charge+1
Average Mass608.511
Monoisotopic Mass608.20625
SMILESC[NH2+][C@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]3O[C@]4(O[C@H]23)O[C@H](C([NH3+])COP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@H]4O)[C@@H]1O
InChIInChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(25)15(10(7)26)36-19-17-16(11(27)8(3-24)35-19)38-20(39-17)18(30)13(29)12(28)14(37-20)6(22)4-34-40(31,32)33/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)/p+1/t5-,6?,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1
InChIKeyDDJWTKQJOKVHBW-NZSRVPFOSA-O
ChEBI Ontology
Outgoing Relation(s)
7''-O-phosphohygromycin B(1+) (CHEBI:57929) is a ammonium ion derivative (CHEBI:35274)
7''-O-phosphohygromycin B(1+) (CHEBI:57929) is conjugate acid of 7''-O-phosphohygromycin B (CHEBI:16861)
Incoming Relation(s)
7''-O-phosphohygromycin B (CHEBI:16861) is conjugate base of 7''-O-phosphohygromycin B(1+) (CHEBI:57929)
IUPAC Name 
(1S,2S,3R,4S,6R)-6-azaniumyl-2-[6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-β-D-talopyranosyloxy]-3-hydroxy-4-(methylazaniumyl)cyclohexyl phosphate
Synonym  Source
7''-O-phosphohygromycin B cationChEBI
UniProt Name  Source
7''-O-phosphohygromycin BUniProt