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CHEBI:40870 - C15-(R)-METHYLTHIENYL RAPAMYCIN

ChEBI IDCHEBI:40870
ChEBI NameC15-(R)-METHYLTHIENYL RAPAMYCIN
Stars
Last Modified3 December 2019
DownloadsMolfile
FormulaC55H81NO12S
Net Charge0
Average Mass980.315
Monoisotopic Mass979.54795
SMILES[H]O[C@@]12O[C@@]([H])(C([H])([H])C([H])([H])[C@@]1([H])C([H])([H])[H])C([H])([H])[C@@]([H])(c1sc(C([H])([H])[H])c([H])c1[H])/C(C([H])([H])[H])=C([H])/C([H])=C([H])/C([H])=C(\[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(C([H])([H])[H])C(=O)[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])/C(C([H])([H])[H])=C(\[H])[C@@]([H])(C([H])([H])[H])C(=O)C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[H])C1([H])[H])OC(=O)[C@@]1([H])N(C(=O)C2=O)C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChIInChI=1S/C55H81NO12S/c1-32-16-12-11-13-17-33(2)42(48-24-20-39(8)69-48)30-41-22-19-38(7)55(64,68-41)52(61)53(62)56-25-15-14-18-43(56)54(63)67-46(35(4)28-40-21-23-44(57)47(29-40)65-9)31-45(58)34(3)27-37(6)50(60)51(66-10)49(59)36(5)26-32/h11-13,16-17,20,24,27,32,34-36,38,40-44,46-47,50-51,57,60,64H,14-15,18-19,21-23,25-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,40+,41+,42-,43+,44-,46+,47-,50-,51+,55-/m1/s1
InChIKeySDSGJAIFUCCAOV-MSLSVLDMSA-N
ChEBI Ontology
Outgoing Relation(s)
C15-(R)-METHYLTHIENYL RAPAMYCIN (CHEBI:40870) is a macrolide lactam (CHEBI:145565)
Synonyms  Source
C15-(R)-METHYLTHIENYL RAPAMYCINPDBeChem
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21R,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-21-(5-methylthiophen-2-yl)-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentonePDBeChem
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