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CHEBI:219839 - Stambomycin D

ChEBI IDCHEBI:219839
ChEBI NameStambomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H131NO22
Net Charge0
Average Mass1362.825
Monoisotopic Mass1361.91627
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)CCC(O)C1O)O2
InChIInChI=1S/C72H131NO22/c1-13-14-15-16-22-50-34-43(4)62(85)37-52(75)24-20-27-57(80)45(6)56(79)25-18-17-21-42(3)67(87)47(8)63-39-64(94-71-70(90)66(73(11)12)68(88)49(10)93-71)48(9)72(91,95-63)40-65(86)92-44(5)29-30-53(76)35-51(74)23-19-26-58(81)46(7)59(82)32-28-41(2)61(84)38-55(78)36-54(77)31-33-60(83)69(50)89/h17-18,21,29-30,34,41,44-64,66-71,74-85,87-91H,13-16,19-20,22-28,31-33,35-40H2,1-12H3/b18-17-,30-29-,42-21-,43-34-/t41?,44?,45?,46?,47?,48?,49-,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?,63?,64?,66+,67?,68-,69?,70-,71+,72?/m1/s1
InChIKeyVGGKBFRLUHMBGC-ASKZPLMLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21444795)
ChEBI Ontology
Outgoing Relation(s)
Stambomycin D (CHEBI:219839) 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-29-hexyl-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-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one