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CHEBI:27784 - gentamycin C1a

ChEBI IDCHEBI:27784
ChEBI Namegentamycin C1a
Stars
ASCII Namegentamycin C1a
Secondary ChEBI IDsCHEBI:5310, CHEBI:14295, CHEBI:24210, CHEBI:43706
Last Modified6 October 2020
DownloadsMolfile
FormulaC19H39N5O7
Net Charge0
Average Mass449.549
Monoisotopic Mass449.28495
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]3N)[C@@H](N)C[C@H]2N)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/t8-,9+,10-,11+,12-,13+,14+,15-,16+,17+,18+,19-/m0/s1
InChIKeyVEGXETMJINRLTH-BOZYPMBZSA-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)
gentamycin C1a (CHEBI:27784) is a gentamycin C (CHEBI:28417)
gentamycin C1a (CHEBI:27784) is conjugate base of gentamycin C1a(5+) (CHEBI:58530)
Incoming Relation(s)
etimicin (CHEBI:134705) has functional parent gentamycin C1a (CHEBI:27784)
gentamycin C1a(5+) (CHEBI:58530) is conjugate acid of gentamycin C1a (CHEBI:27784)
IUPAC Name 
(1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-β-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranoside
Synonyms  Source
Gentamicin C1aKEGG COMPOUND
Gentamycin C12ChemIDplus
O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamineChemIDplus
Manual XrefsDatabases
C00908KEGG COMPOUND
DB04729DrugBank
Registry NumbersSources
CAS:26098-04-4KEGG COMPOUND
CAS:26098-04-4ChemIDplus