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CHEBI:189661 - RapaLink-1

Default Structure
ChEBI IDCHEBI:189661
ChEBI NameRapaLink-1
Stars
Submitterjinyangd
DownloadsMolfile
FormulaC91H138N12O24
Net Charge0
Average Mass1784.165
Monoisotopic Mass1782.99469
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])[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])(OC([H])([H])C([H])([H])OC([H])([H])c3nnn(C([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])n4nc(-c5c([H])c([H])c6oc(N([H])[H])nc6c5[H])c5c(N([H])[H])nc([H])nc54)c3[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/C91H138N12O24/c1-60-18-12-11-13-19-61(2)76(112-8)55-70-24-21-66(7)91(111,127-70)85(108)88(109)102-29-16-14-20-72(102)89(110)125-77(56-73(104)62(3)51-65(6)83(107)84(114-10)82(106)64(5)50-60)63(4)52-67-22-25-75(78(53-67)113-9)124-49-48-123-58-69-57-101(100-98-69)31-33-116-35-37-118-39-41-120-43-45-122-47-46-121-44-42-119-40-38-117-36-34-115-32-27-79(105)94-28-15-17-30-103-87-80(86(92)95-59-96-87)81(99-103)68-23-26-74-71(54-68)97-90(93)126-74/h11-13,18-19,23,26,51,54,57,59-60,62-64,66-67,70,72,75-78,83-84,107,111H,14-17,20-22,24-25,27-50,52-53,55-56,58H2,1-10H3,(H2,93,97)(H,94,105)(H2,92,95,96)/b13-11-,18-12-,61-19-,65-51-/t60-,62-,63-,64-,66-,67-,70+,72-,75?,76-,77+,78-,83+,84+,91-/m1/s1
InChIKeyQDOGZMBPRITPMZ-PKZGRWOKSA-N
ChEBI Ontology
Outgoing Relation(s)
RapaLink-1 (CHEBI:189661) is a organic molecular entity (CHEBI:50860)
Manual XrefsDatabases
137076847ChemIDplus