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CHEBI:208145 - Aminoglycoside 66-40-C

ChEBI IDCHEBI:208145
ChEBI NameAminoglycoside 66-40-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64N8O14
Net Charge0
Average Mass856.972
Monoisotopic Mass856.45420
SMILESCN[C@@H]1[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)[C@@H]3O[C@H]4OC(=CC[C@H]4N)C=N[C@@H]4C[C@H](N)[C@@H](O[C@H]5OC[C@](C)(O)[C@H](NC)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4OC(=CC[C@@H]4N)C=N[C@H]3C[C@H]2N)OC[C@]1(C)O
InChIInChI=1S/C38H64N8O14/c1-37(51)13-53-35(25(49)31(37)43-3)57-27-19(41)9-21-29(23(27)47)59-33-17(39)7-5-16(55-33)12-46-22-10-20(42)28(58-36-26(50)32(44-4)38(2,52)14-54-36)24(48)30(22)60-34-18(40)8-6-15(56-34)11-45-21/h5-6,11-12,17-36,43-44,47-52H,7-10,13-14,39-42H2,1-4H3/t17-,18+,19-,20+,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+/m1/s1
InChIKeyOKDBJIDCKFMJCC-LCUGQODWSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - DOI (10.1039/p19770001407)
ChEBI Ontology
Outgoing Relation(s)
Aminoglycoside 66-40-C (CHEBI:208145) is a glycoside (CHEBI:24400)
IUPAC Name 
(1R,3S,4S,5R,6S,8R,14R,15S,17R,18R,19S,20R,22S,28S)-6,14,20,28-tetraamino-5,19-bis[[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy]-2,16,29,30-tetraoxa-9,23-diazapentacyclo[23.3.1.111,15.03,8.017,22]triaconta-9,11,23,25-tetraene-4,18-diol
Manual XrefsDatabases
10222349ChemSpider