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CHEBI:58530 - gentamycin C1a(5+)

ChEBI IDCHEBI:58530
ChEBI Namegentamycin C1a(5+)
Stars
ASCII Namegentamycin C1a(5+)
DefinitionPentacation of gentamycin C1a.
Last Modified13 November 2017
DownloadsMolfile
FormulaC19H44N5O7
Net Charge+5
Average Mass454.589
Monoisotopic Mass454.32133
SMILESC[NH2+][C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])CC[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O
InChIInChI=1S/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3/p+5/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
InChIKeyVEGXETMJINRLTH-BOZYPMBZSA-S
ChEBI Ontology
Outgoing Relation(s)
gentamycin C1a(5+) (CHEBI:58530) is a ammonium ion derivative (CHEBI:35274)
gentamycin C1a(5+) (CHEBI:58530) is conjugate acid of gentamycin C1a (CHEBI:27784)
Incoming Relation(s)
gentamycin C1a (CHEBI:27784) is conjugate base of gentamycin C1a(5+) (CHEBI:58530)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diammmonio-3-[3-deoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside
UniProt Name  Source
gentamicin C1aUniProt