input word = C00028927

Metabolite InformationStructural formula
Name Ritterazine S
Formula C54H80N2O6
Mw 852.6016383
CAS RN 184971-73-1
C_ID C00028927 ,
InChIKey MRVBXVUCPPAJNQ-XNMCEOBGNA-N
InChICode InChI=1S/C54H80N2O6/c1-27-45-41(59-53(27)17-15-47(3,4)61-53)21-35-31-13-11-29-19-37-39(25-49(29,7)33(31)23-43(57)51(35,45)9)55-38-20-30-12-14-32-34(50(30,8)26-40(38)56-37)24-44(58)52(10)36(32)22-42-46(52)28(2)54(60-42)18-16-48(5,6)62-54/h27-36,41-46,57-58H,11-26H2,1-10H3/t27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,41-,42-,43-,44+,45-,46-,49-,50-,51+,52+,53+,54+/m0/s1
SMILES c12c(nc3c(n1)C[C@]1([C@H](C3)CC[C@@H]3[C@@H]1C[C@@H]([C@]1([C@@H]3C[C@H]3[C@@H]1[C@@H]([C@]1(O3)OC(CC1)(C)C)C)C)O)C)C[C@]1([C@H](C2)CC[C@@H]2[C@@H]1C[C@H]([C@]1([C@@H]2C[C@H]2[C@@H]1[C@@H]([C@@]1(O2)CCC(O1)(C)C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp Cholesterol
Organism
Kingdom Family Species Reference
AnimaliaPolyclinidaeRitterella tokioka Ref.
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