CHEBI:223482 - Glysperin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Glysperin A
ChEBI ID CHEBI:223482
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H75N7O18
Net Charge 0
Average Mass 990.115
Monoisotopic Mass 989.51686
InChI InChI=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
InChIKey POXHWKVMCKMHBX-WLSDYZKCSA-N
SMILES O=C(NCCCNCCCCNCCCCN)C1=CC=C(O[C@@H]2O[C@H](CO)[C@H]([C@@H]2O)O[C@@H]3OC(=C)[C@H](O)[C@@H]([C@@H]3O)O[C@@H]4O[C@H]([C@H](O[C@H]5O[C@@H]([C@H](N)[C@@H]([C@@H]5NC(=O)[C@H](N)C)O)C)[C@@H]([C@H]4O)O)CO)C=C1
Metabolite of Species Details
Bacillus cereus (NCBI:txid1396) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78443099 ChemSpider
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