CHEBI:221234 - Sporeamicin B

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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 Sporeamicin B
ChEBI ID CHEBI:221234
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H61NO12
Net Charge 0
Average Mass 699.879
Monoisotopic Mass 699.41938
InChI InChI=1S/C36H61NO12/c1-13-24-36(10)29(39)19(4)27(49-36)17(2)15-35(9,43)31(48-33-26(38)23(37(11)12)14-18(3)44-33)20(5)28(21(6)32(41)46-24)47-25-16-34(8,42)30(40)22(7)45-25/h17-18,20-26,28,30-31,33,38,40,42-43H,13-16H2,1-12H3/t17-,18-,20-,21-,22+,23+,24+,25+,26-,28-,30+,31-,33+,34-,35+,36+/m1/s1
InChIKey COGYQPKBENVFFL-VINGPLFOSA-N
SMILES O=C1O[C@H]([C@@]2(OC([C@H](C)C[C@@]([C@@H]([C@@H]([C@H]([C@H]1C)O[C@@H]3O[C@H]([C@H](O)[C@@](C3)(O)C)C)C)O[C@@H]4O[C@@H](C[C@@H]([C@H]4O)N(C)C)C)(O)C)=C(C2=O)C)C)CC
Metabolite of Species Details
Saccharopolyspora (NCBI:txid1835) See: PubMed
ChEBI Ontology
Outgoing Sporeamicin B (CHEBI:221234) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1S,2S,5R,6R,7R,8R,9S,11R)-6-[(2R,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-hydroxy-1,5,7,9,11,13-hexamethyl-3,15-dioxabicyclo[10.2.1]pentadec-12-ene-4,14-dione