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CHEBI:224928 - Inosamycin B

ChEBI IDCHEBI:224928
ChEBI NameInosamycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H45N5O14
Net Charge0
Average Mass615.634
Monoisotopic Mass615.29630
SMILESNC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@H]1O
InChIInChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)40-18-5(26)1-6(30)12(31)20(18)42-23-17(36)19(9(4-29)39-23)41-22-11(28)16(35)14(33)8(3-25)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9+,10+,11-,12-,13+,14-,15+,16-,17+,18+,19+,20+,21+,22+,23-/m0/s1
InChIKeyHNBFTXDNUFWYJV-SUEBJQNFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (4066486)
ChEBI Ontology
Outgoing Relation(s)
Inosamycin B (CHEBI:224928) is a amino cyclitol (CHEBI:61689)
Inosamycin B (CHEBI:224928) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-6-amino-2-[(2S,3R,4S,5R)-4-[(2R,3S,4S,5R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxycyclohexyl]oxy-2-(aminomethyl)oxane-3,4-diol
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