input word = C00018696

Metabolite InformationStructural formula
Name Triostin C
Formula C54H70N12O12S2
Mw 1142.46775725
CAS RN 10382-35-1
C_ID C00018696 ,
InChIKey AAKHBCYMJPWUTO-RTSDNDQDNA-N
InChICode InChI=1S/C54H70N12O12S2/c1-27(2)29(5)43-53(75)77-23-39(61-45(67)37-21-55-33-17-13-15-19-35(33)59-37)47(69)57-32(8)50(72)64(10)42-26-80-79-25-41(51(73)65(43)11)63(9)49(71)31(7)58-48(70)40(24-78-54(76)44(30(6)28(3)4)66(12)52(42)74)62-46(68)38-22-56-34-18-14-16-20-36(34)60-38/h13-22,27-32,39-44H,23-26H2,1-12H3,(H,57,69)(H,58,70)(H,61,67)(H,62,68)/t29-,30+,31-,32-,39+,40+,41+,42-,43+,44+/m0/s1
SMILES c12c(nc(cn1)C(=O)N[C@H]1C(=O)N[C@H](C(=O)N([C@@H]3C(=O)N([C@@H](C(=O)OC[C@@H](NC(=O)c4nc5c(nc4)cccc5)C(=O)N[C@H](C(=O)N([C@@H](C(=O)N([C@@H](C(=O)OC1)[C@H](C(C)C)C)C)CSSC3)C)C)[C@@H](C(C)C)C)C)C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces S-2-210 Ref.
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OrganismStreptomyces S-2-210
ReferenceShoji,J. Antibiotics Series A,14,(1961),335