input word = C00015441

Metabolite InformationStructural formula
Name Tylopeptin A
Formula C73H120N18O19
Mw 1552.89771378
CAS RN 256370-94-2
C_ID C00015441 ,
InChIKey ZXSAQOASWXTEMJ-BSCYMTSBNA-N
InChICode InChI=1S/C73H120N18O19/c1-21-73(20,91-67(109)72(18,19)90-63(105)54(38(6)7)86-60(102)50(80-42(11)94)32-43-33-76-46-25-23-22-24-45(43)46)68(110)79-40(9)55(97)82-47(26-28-52(74)95)58(100)77-41(10)57(99)87-70(14,15)66(108)85-51(35-93)62(104)89-69(12,13)64(106)78-39(8)56(98)83-49(31-37(4)5)61(103)88-71(16,17)65(107)84-48(27-29-53(75)96)59(101)81-44(34-92)30-36(2)3/h22-25,33,36-41,44,47-51,54,76,92-93H,21,26-32,34-35H2,1-20H3,(H2,74,95)(H2,75,96)(H,77,100)(H,78,106)(H,79,110)(H,80,94)(H,81,101)(H,82,97)(H,83,98)(H,84,107)(H,85,108)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,105)(H,91,109)/t39-,40-,41-,44-,47-,48-,49-,50-,51-,54-,73+/m0/s1
SMILES c1ccc2c(c1)[nH]cc2C[C@H](NC(=O)C)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CO)CCC(=O)N)C)(C)C)CO)(C)C)C)CCC(=O)N)C)(CC)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
FungiBoletaceaeTylopilus neofelleus Ref.
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OrganismTylopilus neofelleus
ReferenceLee,J.Antibiotics 52,(1999),998