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CHEBI:223482 - Glysperin A

ChEBI IDCHEBI:223482
ChEBI NameGlysperin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75N7O18
Net Charge0
Average Mass990.115
Monoisotopic Mass989.51686
SMILESC=C1O[C@@H](O[C@H]2[C@H](O)[C@H](Oc3ccc(C(=O)NCCCNCCCCNCCCCN)cc3)O[C@@H]2CO)[C@@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O[C@H]3O[C@H](C)[C@H](N)[C@H](O)[C@@H]3NC(=O)[C@@H](C)N)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C44H75N7O18/c1-21(46)39(60)51-29-31(55)28(47)22(2)62-41(29)67-36-26(19-52)65-42(33(57)32(36)56)69-38-30(54)23(3)63-43(35(38)59)68-37-27(20-53)66-44(34(37)58)64-25-11-9-24(10-12-25)40(61)50-18-8-17-49-16-7-6-15-48-14-5-4-13-45/h9-12,21-22,26-38,41-44,48-49,52-59H,3-8,13-20,45-47H2,1-2H3,(H,50,61)(H,51,60)/t21-,22-,26+,27-,28+,29+,30+,31+,32-,33-,34+,35+,36+,37-,38+,41-,42+,43+,44-/m1/s1
InChIKeyPOXHWKVMCKMHBX-WLSDYZKCSA-N
Species of MetaboliteComponentSourceComments
Bacillus cereus (ncbitaxon:1396) - PubMed (7275818)
ChEBI Ontology
Outgoing Relation(s)
Glysperin A (CHEBI:223482) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
4-[(2S,3S,4S,5R)-4-[(2R,3S,4S,5R)-4-[(2S,3R,4R,5R,6S)-5-[(2R,3S,4S,5R,6R)-5-amino-3-[[(2R)-2-aminopropanoyl]amino]-4-hydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-methylideneoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-N-[3-[4-(4-aminobutylamino)butylamino]propyl]benzamide
Manual XrefsDatabases
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