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CHEBI:220284 - 28-deoxystambomycin A

ChEBI IDCHEBI:220284
ChEBI Name28-deoxystambomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC73H133NO21
Net Charge0
Average Mass1360.853
Monoisotopic Mass1359.93701
SMILESCCC(C)CCCC1/C=C(/C)C(O)CC(O)CCCC(O)C(C)C(O)C/C=C\C=C(\C)C(O)C(C)C2CC(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]3O)C(C)C(O)(CC(=O)OC(C)/C=C\C(O)CC(O)CCCC(O)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCCC1O)O2
InChIInChI=1S/C73H133NO21/c1-14-42(2)21-17-23-52-35-45(5)64(86)38-55(77)26-19-29-59(81)47(7)58(80)27-16-15-22-44(4)69(88)49(9)65-40-66(94-72-71(90)68(74(12)13)70(89)51(11)93-72)50(10)73(91,95-65)41-67(87)92-46(6)32-33-56(78)36-53(75)24-18-28-60(82)48(8)61(83)34-31-43(3)63(85)39-57(79)37-54(76)25-20-30-62(52)84/h15-16,22,32-33,35,42-43,46-66,68-72,75-86,88-91H,14,17-21,23-31,34,36-41H2,1-13H3/b16-15-,33-32-,44-22-,45-35-/t42?,43?,46?,47?,48?,49?,50?,51-,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,66?,68+,69?,70-,71-,72+,73?/m1/s1
InChIKeyUEYLSFDKSXZPKX-CAWZTLBBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24220109)
ChEBI Ontology
Outgoing Relation(s)
28-deoxystambomycin A (CHEBI:220284) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(6E,30E,42E,44E)-50-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,28,32,34,38,40,46-tetradecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(4-methylhexyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one