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CHEBI:219829 - Stambomycin B

ChEBI IDCHEBI:219829
ChEBI NameStambomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H133NO22
Net Charge0
Average Mass1376.852
Monoisotopic Mass1375.93192
SMILESC/C1=C/C(CCCCC(C)C)C(O)C(O)CCC(O)CC(O)CC(O)C(C)CCC(O)C(C)C(O)CCCC(O)CC(O)/C=C\C(C)OC(=O)CC2(O)OC(CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C2C)C(C)C(O)/C(C)=C\C=C/CC(O)C(C)C(O)CCCC(O)CC1O
InChIInChI=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
InChIKeyKDNCTFOFNDNJHH-ABQAGJPASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21444795)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
78445705ChemSpider