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CHEBI:223477 - Glysperin B

ChEBI IDCHEBI:223477
ChEBI NameGlysperin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H66N6O18
Net Charge0
Average Mass918.992
Monoisotopic Mass918.44336
SMILESC=C1O[C@@H](O[C@@H]2[C@H](O)[C@H](Oc3ccc(C(=O)NCCCNCCCCN)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/C40H66N6O18/c1-17(42)35(55)46-25-27(50)24(43)18(2)57-37(25)62-32-22(15-47)60-38(29(52)28(32)51)64-34-26(49)19(3)58-39(31(34)54)63-33-23(16-48)61-40(30(33)53)59-21-9-7-20(8-10-21)36(56)45-14-6-13-44-12-5-4-11-41/h7-10,17-18,22-34,37-40,44,47-54H,3-6,11-16,41-43H2,1-2H3,(H,45,56)(H,46,55)/t17-,18-,22+,23+,24+,25-,26+,27+,28-,29-,30+,31-,32+,33+,34-,37-,38+,39+,40-/m1/s1
InChIKeyPGEKDAOSVRPCSY-AMGOUKICSA-N
Species of MetaboliteComponentSourceComments
Bacillus cereus (ncbitaxon:1396) - PubMed (7275818)
ChEBI Ontology
Outgoing Relation(s)
Glysperin B (CHEBI:223477) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
4-[(2S,3S,4R,5S)-4-[(2R,3R,4R,5R)-4-[(2S,3R,4R,5R,6S)-5-[(2R,3R,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-aminobutylamino)propyl]benzamide
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