input word = C00038892

Metabolite InformationStructural formula
Name Cyclodidemniserinol trisulfate
Formula C38H66N2O19S3
Mw 950.34219013
CAS RN 276673-10-0
C_ID C00038892 ,
InChIKey LNBQDKGIEDBTDS-HDHHDBNANA-N
InChICode InChI=1S/C38H66N2O19S3/c1-3-28(2)37(43)55-30-23-34-32-18-12-5-4-6-14-20-35(41)39-25-36(42)56-31(17-11-7-9-15-21-38(24-30,57-32)58-34)33(59-62(50,51)52)19-13-8-10-16-22-53-26-29(40-60(44,45)46)27-54-61(47,48)49/h14,20,28-34,40H,3-13,15-19,21-27H2,1-2H3,(H,39,41)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b20-14+/t28-,29-,30+,31+,32-,33-,34-,38+/m1/s1
SMILES CCC(C)C(=O)O[C@H]1C[C@H]2O[C@@]3(CCCCCCC(C(CCCCCCOCC(COS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O)OC(=O)CNC(=O)/C=C/CCCCC[C@H]2O3)C1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum guttatum Ref.
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OrganismDidemnum guttatum
ReferenceNakao,J.Nat.Prod.,70,(2007),689