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CHEBI:220302 - 28-deoxystambomycin D

ChEBI IDCHEBI:220302
ChEBI Name28-deoxystambomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H131NO21
Net Charge0
Average Mass1346.826
Monoisotopic Mass1345.92136
SMILESCCCCCCC1/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/C72H131NO21/c1-13-14-15-16-23-51-35-44(4)63(85)38-54(76)26-20-29-58(80)46(6)57(79)27-18-17-22-43(3)68(87)48(8)64-40-65(93-71-70(89)67(73(11)12)69(88)50(10)92-71)49(9)72(90,94-64)41-66(86)91-45(5)32-33-55(77)36-52(74)24-19-28-59(81)47(7)60(82)34-31-42(2)62(84)39-56(78)37-53(75)25-21-30-61(51)83/h17-18,22,32-33,35,42,45-65,67-71,74-85,87-90H,13-16,19-21,23-31,34,36-41H2,1-12H3/b18-17-,33-32-,43-22-,44-35-/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?/m1/s1
InChIKeyVMJCXSBJHVKYIK-PWISGZDQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (24220109)
ChEBI Ontology
Outgoing Relation(s)
28-deoxystambomycin D (CHEBI:220302) 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-29-hexyl-1,8,10,14,16,20,22,24,28,32,34,38,40,46-tetradecahydroxy-5,15,19,31,39,45,47,51-octamethyl-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one