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CHEBI:233199 - 4'-adenylylkanamycin A(3+)

ChEBI IDCHEBI:233199
ChEBI Name4'-adenylylkanamycin A(3+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC28H51N9O17P
Net Charge+3
Average Mass816.736
Monoisotopic Mass816.31241
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]4O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2C[NH3+])[C@@H](O)[C@H]1O
InChIInChI=1S/C28H48N9O17P/c29-2-9-23(54-55(46,47)48-4-11-15(40)18(43)26(49-11)37-6-36-13-24(33)34-5-35-25(13)37)17(42)19(44)28(50-9)53-22-8(31)1-7(30)21(20(22)45)52-27-16(41)12(32)14(39)10(3-38)51-27/h5-12,14-23,26-28,38-45H,1-4,29-32H2,(H,46,47)(H2,33,34,35)/p+3/t7-,8+,9-,10-,11-,12+,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,26-,27-,28-/m1/s1
InChIKeyKPFLALOLAYOJLY-OEGPVOQTSA-Q
ChEBI Ontology
Outgoing Relation(s)
4'-adenylylkanamycin A(3+) (CHEBI:233199) has functional parent kanamycin A(4+) (CHEBI:58214)
4'-adenylylkanamycin A(3+) (CHEBI:233199) is a ammonium ion derivative (CHEBI:35274)
4'-adenylylkanamycin A(3+) (CHEBI:233199) is conjugate acid of 4'-adenylkanamycin A (CHEBI:137400)
Incoming Relation(s)
4'-adenylkanamycin A (CHEBI:137400) is conjugate base of 4'-adenylylkanamycin A(3+) (CHEBI:233199)
Synonyms  Source
4'-adenylkanamycin ASUBMITTER
4'-AMP-kanamycin ASUBMITTER
UniProt Name  Source
4'-adenylylkanamycin AUniProt
Citations