CHEBI:199632 - Obetaamycin

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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 Obetaamycin
ChEBI ID CHEBI:199632
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C49H85NO14
Net Charge 0
Average Mass 912.212
Monoisotopic Mass 911.59701
InChI InChI=1S/C49H85NO14/c1-11-34(51)26-35-19-17-24-48(62-35)28-37-30(2)38(63-48)29-49(58)33(27-45(5,6)64-49)18-15-13-12-14-16-23-46(7,56)44(55)42(61-40-21-20-36(50(9)10)32(4)59-40)41(53)31(3)43(54)47(8,57)25-22-39(52)60-37/h15,18,22,25,30-38,40-44,51,53-58H,11-14,16-17,19-21,23-24,26-29H2,1-10H3/b18-15?,25-22+/t30-,31+,32-,33+,34+,35+,36-,37-,38-,40-,41+,42-,43-,44+,46+,47+,48+,49-/m0/s1
InChIKey XGECDDPXIKFBTE-XZOPBUQZSA-N
SMILES O=C1O[C@@H]2[C@@H]([C@@H](O[C@]3(C2)O[C@H](CCC3)C[C@H](O)CC)C[C@@]4(OC(C)(C)C[C@H]4C=CCCCCC[C@]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@](C=C1)(O)C)O)C)O)O[C@@H]5O[C@H]([C@@H](N(C)C)CC5)C)O)(O)C)O)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Obetaamycin (CHEBI:199632) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1S,3S,6'R,7S,15R,16R,17S,18R,19R,20S,21R,22E,26S,28R,30R)-17-[(2S,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-3,15,16,18,20,21-hexahydroxy-6'-[(2R)-2-hydroxybutyl]-5,5,15,19,21,30-hexamethylspiro[4,25,29-trioxatricyclo[24.3.1.03,7]triaconta-8,22-diene-28,2'-oxane]-24-one