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CHEBI:59917 - 4-O-phosphohygromycin B(1+)

ChEBI IDCHEBI:59917
ChEBI Name4-O-phosphohygromycin B(1+)
Stars
ASCII Name4-O-phosphohygromycin B(1+)
DefinitionThe conjugate acid of 4-O-phosphohygromycin B having an anionic phosphate group and all three amino groups protonated; major species at pH 7.3.
Last Modified1 February 2013
SubmitterAnne Morgat
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+])CO)[C@H](O)[C@H](O)[C@H]4O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C20H38N3O16P/c1-23-7-2-5(21)9(26)15(14(7)39-40(31,32)33)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/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
InChIKeySYTZKXOAVUXHFS-DMVNDESQSA-O
ChEBI Ontology
Outgoing Relation(s)
4-O-phosphohygromycin B(1+) (CHEBI:59917) is a ammonium ion derivative (CHEBI:35274)
4-O-phosphohygromycin B(1+) (CHEBI:59917) is conjugate acid of 4-O-phosphohygromycin B (CHEBI:52138)
Incoming Relation(s)
4-O-phosphohygromycin B (CHEBI:52138) is conjugate base of 4-O-phosphohygromycin B(1+) (CHEBI:59917)
IUPAC Name 
(1R,2S,3R,5S,6R)-3-azaniumyl-2-hydroxy-5-(methylazaniumyl)-6-(phosphononatooxy)cyclohexyl O-6-azaniumyl-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1→2-3)-β-D-talopyranoside
UniProt Name  Source
4-O-phosphohygromycin BUniProt