input word = C00028588

Metabolite InformationStructural formula
Name Micropeptin 478-B
Formula C40H62ClN9O18S2
Mw 1055.33427542
CAS RN 186368-51-4
C_ID C00028588 ,
InChIKey SBCCONGDAHGETE-UHFFFAOYNA-N
InChICode InChI=1S/C40H62ClN9O18S2/c1-7-19(3)30-39(59)67-21(5)31(48-35(55)28(68-70(63,64)65)18-66-69(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(37(25)57)32(20(4)8-2)38(58)49(6)26(34(54)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-52H,7-10,12,14-15,17-18H2,1-6H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)(H,63,64,65)/t19-,20-,21+,24-,25+,26-,28+,29+,30-,31+,32+/m1/s1
SMILES [C@@H]1(CC[C@@H]2NC(=O)[C@H](NC(=O)[C@H]([C@@H](OC(=O)[C@H](NC(=O)[C@H](N(C(=O)[C@@H](N1C2=O)[C@H](C)CC)C)Cc1ccc(c(c1)Cl)O)[C@@H](CC)C)C)NC(=O)[C@H](COS(=O)(=O)O)OS(=O)(=O)O)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
zoom in