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CHEBI:58552 - N2'-acetylgentamycin C1a(4+)

ChEBI IDCHEBI:58552
ChEBI NameN2'-acetylgentamycin C1a(4+)
Stars
ASCII NameN(2')-acetylgentamycin C1a(4+)
DefinitionTetracation of N2'-acetylgentamycin C1a.
Last Modified5 November 2015
DownloadsMolfile
FormulaC21H45N5O8
Net Charge+4
Average Mass495.618
Monoisotopic Mass495.32462
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]3NC(C)=O)[C@@H]([NH3+])C[C@H]2[NH3+])OC[C@]1(C)O
InChIInChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/p+4/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1
InChIKeyRLGSXXMFPPOROB-JOYMZIHVSA-R
ChEBI Ontology
Outgoing Relation(s)
N2'-acetylgentamycin C1a(4+) (CHEBI:58552) is a ammonium ion derivative (CHEBI:35274)
N2'-acetylgentamycin C1a(4+) (CHEBI:58552) is conjugate acid of N2'-acetylgentamycin C1a (CHEBI:28147)
Incoming Relation(s)
N2'-acetylgentamycin C1a (CHEBI:28147) is conjugate base of N2'-acetylgentamycin C1a(4+) (CHEBI:58552)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diammonio-3-[3-deoxy-4-C-methyl-3-(methylammonio)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-ammmonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside
UniProt Name  Source
N2'-acetylgentamicin C1aUniProt