CHEBI:219829 - Stambomycin 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 Stambomycin B
ChEBI ID CHEBI:219829
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C73H133NO22
Net Charge 0
Average Mass 1376.852
Monoisotopic Mass 1375.93192
InChI InChI=1S/C73H133NO22/c1-41(2)20-14-16-22-51-34-44(5)63(86)37-53(76)24-19-27-58(81)46(7)57(80)25-17-15-21-43(4)68(88)48(9)64-39-65(95-72-71(91)67(74(12)13)69(89)50(11)94-72)49(10)73(92,96-64)40-66(87)93-45(6)29-30-54(77)35-52(75)23-18-26-59(82)47(8)60(83)32-28-42(3)62(85)38-56(79)36-55(78)31-33-61(84)70(51)90/h15,17,21,29-30,34,41-42,45-65,67-72,75-86,88-92H,14,16,18-20,22-28,31-33,35-40H2,1-13H3/b17-15-,30-29-,43-21-,44-34-/t42?,45?,46?,47?,48?,49?,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,67+,68?,69-,70?,71-,72+,73?/m1/s1
InChIKey KDNCTFOFNDNJHH-ABQAGJPASA-N
SMILES O=C1OC(C=CC(O)CC(O)CCCC(O)C(C(O)CCC(C(O)CC(O)CC(O)CCC(O)C(C(C=C(C(CC(CCCC(C(C(CC=CC=C(C(C(C2OC(C1)(O)C(C(O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)N(C)C)C)C2)C)C)O)C)O)C)O)O)O)C)CCCCC(C)C)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Stambomycin B (CHEBI:219829) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(6Z,30Z,42Z,44Z)-50-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(5-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
Manual Xref Database
78445705 ChemSpider
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