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CHEBI:45347 - C49-METHYL RAPAMYCIN

ChEBI IDCHEBI:45347
ChEBI NameC49-METHYL RAPAMYCIN
Stars
Last Modified3 December 2019
DownloadsMolfile
FormulaC52H81NO13
Net Charge0
Average Mass928.214
Monoisotopic Mass927.57079
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])(OC([H])([H])C([H])([H])[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/C52H81NO13/c1-11-64-43-29-39-22-20-37(8)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(34(5)27-38-21-23-41(54)45(28-38)62-9)30-42(55)33(4)26-36(7)47(57)48(63-10)46(56)35(6)25-31(2)17-13-12-14-18-32(43)3/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,57,61H,11,15-16,19-25,27-30H2,1-10H3/b14-12+,17-13+,32-18-,36-26+/t31-,33-,34-,35-,37-,38+,39+,40+,41-,43+,44+,45-,47-,48+,52-/m1/s1
InChIKeyGPZGXSFHPLUMHE-RWXDLCFBSA-N
ChEBI Ontology
Outgoing Relation(s)
C49-METHYL RAPAMYCIN (CHEBI:45347) is a macrolide lactam (CHEBI:145565)
Synonyms  Source
C49-METHYL RAPAMYCINPDBeChem
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-21-ethoxy-9,27-dihydroxy-3-{(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl}-10-methoxy-6,8,12,14,20,26-hexamethyl-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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