EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:28147 - N2'-acetylgentamycin C1a

ChEBI IDCHEBI:28147
ChEBI NameN2'-acetylgentamycin C1a
Stars
ASCII NameN(2')-acetylgentamycin C1a
Secondary ChEBI IDsCHEBI:7360, CHEBI:12627, CHEBI:21804
Last Modified26 March 2010
DownloadsMolfile
FormulaC21H41N5O8
Net Charge0
Average Mass491.586
Monoisotopic Mass491.29551
SMILESCN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](CN)CC[C@H]3NC(C)=O)[C@@H](N)C[C@H]2N)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)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1
InChIKeyRLGSXXMFPPOROB-JOYMZIHVSA-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)
N2'-acetylgentamycin C1a (CHEBI:28147) is a N2'-acetylgentamycin (CHEBI:21805)
N2'-acetylgentamycin C1a (CHEBI:28147) is conjugate base of N2'-acetylgentamycin C1a(4+) (CHEBI:58552)
Incoming Relation(s)
N2'-acetylgentamycin C1a(4+) (CHEBI:58552) is conjugate acid of N2'-acetylgentamycin C1a (CHEBI:28147)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-amino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside
Synonyms  Source
N2'-Acetylgentamicin C1aKEGG COMPOUND
N2'-acetylgentamycin C1aChEBI
Manual XrefsDatabases
C03524KEGG COMPOUND