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CHEBI:137400 - 4'-adenylkanamycin A

Default Structure
ChEBI IDCHEBI:137400
ChEBI Name4'-adenylkanamycin A
Stars
DefinitionA aminoglycoside phosphate obtained by formal condensation of the phosphate group of AMP with the 4'-hydroxy group of kanamycin A.
Last Modified20 January 2025
Submittergemma
DownloadsMolfile
FormulaC28H48N9O17P
Net Charge0
Average Mass813.712
Monoisotopic Mass813.29058
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[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)/t7-,8+,9-,10-,11-,12+,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,26-,27-,28-/m1/s1
InChIKeyKPFLALOLAYOJLY-OEGPVOQTSA-N
ChEBI Ontology
Outgoing Relation(s)
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 adenosine 5'-phosphate (CHEBI:37096)
4'-adenylkanamycin A (CHEBI:137400) is a aminoglycoside phosphate (CHEBI:36974)
4'-adenylkanamycin A (CHEBI:137400) is conjugate base of 4'-adenylylkanamycin A(3+) (CHEBI:233199)
Incoming Relation(s)
4'-adenylylkanamycin A(3+) (CHEBI:233199) is conjugate acid of 4'-adenylkanamycin A (CHEBI:137400)
Synonyms  Source
4'-(adenosine-5'-phosphoryl)kanamycin AChEBI
4'-AMP-kanamycin AChEBI
Registry NumbersSources
Reaxys:6766678Reaxys
Citations