input word = C00018695

Metabolite InformationStructural formula
Name Triostin A
Formula C50H62N12O12S2
Mw 1086.40515699
CAS RN 13758-27-5
C_ID C00018695 ,
InChIKey GULVULFEAVZHHC-HEEZVUBPNA-N
InChICode InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37-,38-,39-,40-/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(C)C)C)CSSC3)C)C)C(C)C)C)C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseovariabilis Ref.
BacteriaStreptomycetaceaeStreptomyces lasaliensis Ref.
BacteriaStreptomycetaceaeStreptomyces S-2-210 Ref.
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OrganismStreptomyces griseovariabilis
ReferenceC.Zhang et al.,Plos One,8,(2013),e56772.113