input word = C00028587

Metabolite InformationStructural formula
Name Micropeptin 478-A
Formula C40H62ClN9O15S
Mw 975.37746082
CAS RN 186368-49-0
C_ID C00028587 ,
InChIKey XQAUOXBHKXOGBQ-UHFFFAOYNA-N
InChICode InChI=1S/C40H62ClN9O15S/c1-7-19(3)30-39(60)65-21(5)31(48-35(56)28(52)18-64-66(61,62)63)36(57)45-24(10-9-15-44-40(42)43)33(54)46-25-12-14-29(53)50(37(25)58)32(20(4)8-2)38(59)49(6)26(34(55)47-30)17-22-11-13-27(51)23(41)16-22/h11,13,16,19-21,24-26,28-32,51-53H,7-10,12,14-15,17-18H2,1-6H3,(H,45,57)(H,46,54)(H,47,55)(H,48,56)(H4,42,43,44)(H,61,62,63)/t19-,20-,21+,24-,25-,26+,28+,29+,30-,31-,32+/m0/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)O)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa Ref.
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