EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73683 - 6''-O-carbamoylkanamycin A

ChEBI IDCHEBI:73683
ChEBI Name6''-O-carbamoylkanamycin A
Stars
ASCII Name6''-O-carbamoylkanamycin A
DefinitionA carbamoylkanamycin that is kanamycin A bearing a single carbamoyl substituent located at position 6'' (on the 3-aminoglucose ring).
Last Modified3 August 2014
SubmitterSteve
DownloadsMolfile
FormulaC19H37N5O12
Net Charge0
Average Mass527.528
Monoisotopic Mass527.24387
SMILESNC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](COC(N)=O)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H37N5O12/c20-2-6-10(26)12(28)13(29)18(33-6)36-16-5(22)1-4(21)15(14(16)30)35-17-11(27)8(23)9(25)7(34-17)3-32-19(24)31/h4-18,25-30H,1-3,20-23H2,(H2,24,31)/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1
InChIKeyPRWQRPNQDIKFBR-NOAMYHISSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
6''-O-carbamoylkanamycin A (CHEBI:73683) has functional parent kanamycin A (CHEBI:17630)
6''-O-carbamoylkanamycin A (CHEBI:73683) is a carbamoylkanamycin (CHEBI:73684)
6''-O-carbamoylkanamycin A (CHEBI:73683) is conjugate base of 6''-O-carbamoylkanamycin A(4+) (CHEBI:73675)
Incoming Relation(s)
6''-O-carbamoylkanamycin A(4+) (CHEBI:73675) is conjugate acid of 6''-O-carbamoylkanamycin A (CHEBI:73683)
IUPAC Name 
(1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-6-O-carbamoyl-3-deoxy-α-D-glucopyranoside
Registry NumbersSources
Reaxys:22510920Reaxys