input word = C00016842

Metabolite InformationStructural formula
Name Verucopeptin
BMY 28782
BU 3983T
Formula C43H73N7O13
Mw 895.52663547
CAS RN 138067-14-8
C_ID C00016842 ,
InChIKey IKTLLLGZSOKVRF-UHFFFAOYNA-N
InChICode InChI=1S/C43H73N7O13/c1-12-26(4)18-27(5)19-28(6)20-29(7)38-31(61-11)15-16-43(59,63-38)42(8,58)41(57)46-36-37(25(2)3)62-35(54)24-48(10)33(52)21-44-32(51)22-47(9)34(53)23-49(60)39(55)30-14-13-17-45-50(30)40(36)56/h20,25-28,30-31,36-38,45,58-60H,12-19,21-24H2,1-11H3,(H,44,51)(H,46,57)/b29-20-/t26-,27+,28-,30+,31+,36-,37+,38-,42-,43+/m1/s1
SMILES C1C(=O)NCC(=O)N(CC(=O)O[C@H]([C@H](C(=O)N2[C@H](C(=O)N(CC(=O)N1C)O)CCCN2)NC(=O)[C@](O)(C)[C@@]1(CC[C@@H]([C@@H](/C(=C\[C@@H](C[C@H](C[C@H](C)CC)C)C)/C)O1)OC)O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura verrucosospora Q886-2 Ref.
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