input word = C00018529

Metabolite InformationStructural formula
Name Trestatin A
Formula C56H94N2O40
Mw 1434.53828591
CAS RN 71884-70-3
C_ID C00018529 ,
InChIKey PYVAAPGPTLLDGV-OMYIAPIJNA-N
InChICode InChI=1S/C56H94N2O40/c1-12-23(57-16-3-14(5-59)25(66)31(72)26(16)67)29(70)38(79)50(86-12)94-46-19(8-62)89-52(41(82)34(46)75)93-45-15(6-60)4-17(27(68)33(45)74)58-24-13(2)87-51(39(80)30(24)71)95-47-20(9-63)90-53(42(83)35(47)76)96-48-21(10-64)91-54(43(84)36(48)77)97-49-22(11-65)92-56(44(85)37(49)78)98-55-40(81)32(73)28(69)18(7-61)88-55/h3-4,12-13,16-85H,5-11H2,1-2H3/t12-,13-,16+,17+,18+,19-,20+,21-,22-,23-,24-,25-,26+,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,47+,48+,49+,50-,51-,52-,53-,54-,55-,56-/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@H](C=C1CO)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1C)O[C@@H]1[C@@H]([C@H]([C@@H](O[C@@H]2C(=C[C@@H]([C@@H]([C@H]2O)O)N[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2C)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@H]2CO)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@@H]2[C@@H]([C@@H]([C@H](O[C@@H]2CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)O)O)O)O)O)O)CO)O[C@@H]1CO)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces dimorphogenes nov. sp. NR-320-OM7HB Ref.
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OrganismStreptomyces dimorphogenes nov. sp. NR-320-OM7HB
ReferenceYokose,J. Antibiotics,36,(1983),1157