input word = C00044984

Metabolite InformationStructural formula
Name Oscillapeptin J
Formula C47H68N10O18S
Mw 1092.44337617
CAS RN 503551-25-5
C_ID C00044984 ,
InChIKey TYSLVBJOPFOBFU-JWVCCCBCNA-N
InChICode InChI=1S/C47H68N10O18S/c1-6-23(2)36-46(70)75-25(4)37(55-40(64)32(20-26-9-13-28(59)14-10-26)53-42(66)34(61)22-74-76(71,72)73)43(67)51-30(8-7-19-50-47(48)49)39(63)52-31-17-18-35(62)57(44(31)68)38(24(3)58)45(69)56(5)33(41(65)54-36)21-27-11-15-29(60)16-12-27/h9-16,23-25,30-38,58-62H,6-8,17-22H2,1-5H3,(H,51,67)(H,52,63)(H,53,66)(H,54,65)(H,55,64)(H4,48,49,50)(H,71,72,73)/t23-,24-,25-,30+,31+,32+,33+,34-,35-,36+,37+,38+/m1/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C2=O)CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@@H](COS(=O)(=O)O)O)C)[C@@H](CC)C)Cc1ccc(cc1)O)C)[C@@H](C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPhormidiaceaePlanktothrix rubescens Ref.
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