CHEBI:137400 - 4'-adenylkanamycin A

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ChEBI Name 4'-adenylkanamycin A ChEBI ID CHEBI:137400 Definition A aminoglycoside phosphate obtained by formal condensation of the phosphate group of AMP with the 4'-hydroxy group of kanamycin A. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gemma Holliday Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H48N9O17P Net Charge 0 Average Mass 813.706 Monoisotopic Mass 813.29058 InChI InChI=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)/t7-,8+,9-,10-,11-,12+,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,26-,27-,28-/m1/s1 InChIKey KPFLALOLAYOJLY-OEGPVOQTSA-N SMILES NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O[C@@H]4[C@H](O[C@H](O[C@H]5[C@@H]([C@H]([C@@H](C[C@@H]5N)N)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)N)O)O)[C@@H]([C@H]4O)O)CN)O)[C@@H](O)[C@H]3O ChEBI Ontology Outgoing 4'-adenylkanamycin A (CHEBI:137400) has functional parent adenosine 5'-monophosphate (CHEBI:16027) 4'-adenylkanamycin A (CHEBI:137400) has functional parent kanamycin A (CHEBI:17630) 4'-adenylkanamycin A (CHEBI:137400) is a aminoglycoside phosphate (CHEBI:36974) Synonyms Sources 4'-(adenosine-5'-phosphoryl)kanamycin A ChEBI 4'-AMP-kanamycin A ChEBI Registry Number Type Source 6766678 Reaxys Registry Number Reaxys Citation Type Source 8218273 PubMed citation SUBMITTER Last Modified 16 August 2017