input word = C00016162

Metabolite InformationStructural formula
Name Esperamicin A1
Formula C57H76N4O22S4
Mw 1296.38340306
CAS RN 152130-63-7
C_ID C00016162 ,
InChIKey KUWYWVUNFKWNCB-JBCPQGIFNA-N
InChICode InChI=1S/C57H76N4O22S4/c1-27-45(61-83-43-23-35(62)51(84-11)29(3)77-43)48(64)50(81-41-24-37(71-7)34(58-5)26-75-41)55(78-27)80-36-17-15-13-14-16-19-57(69)32(18-20-86-87-85-12)44(36)46(60-56(68)74-10)49(65)52(57)82-42-25-40(47(63)28(2)76-42)79-54(67)31-21-38(72-8)39(73-9)22-33(31)59-53(66)30(4)70-6/h13-14,18,21-22,27-29,34-37,40-43,45,47-48,50-52,55,58,61-64,69H,4,20,23-26H2,1-3,5-12H3,(H,59,66)(H,60,68)/b14-13-,32-18+/t27-,28+,29-,34+,35-,36+,37+,40+,41-,42+,43+,45+,47-,48-,50-,51+,52+,55+,57-/m0/s1
SMILES C1(=O)[C@H]([C@@]2(C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura verrucosospora ATCC 39334 Ref.
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