input word = C00018530

Metabolite InformationStructural formula
Name Trestatin B
Formula C37H63NO28
Mw 969.35366044
CAS RN 71869-92-6
C_ID C00018530 ,
InChIKey WEDWQCPYKKZMDF-VIXOQSAZNA-N
InChICode InChI=1S/C37H63NO28/c1-8-15(38-10-2-9(3-39)16(44)20(48)17(10)45)19(47)25(53)33(58-8)63-30-12(5-41)60-34(27(55)22(30)50)64-31-13(6-42)61-35(28(56)23(31)51)65-32-14(7-43)62-37(29(57)24(32)52)66-36-26(54)21(49)18(46)11(4-40)59-36/h2,8,10-57H,3-7H2,1H3/t8-,10-,11-,12+,13-,14-,15-,16-,17-,18+,19+,20-,21+,22-,23-,24-,25+,26-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-/m1/s1
SMILES CC1O[C@H](O[C@@H]2C(CO)O[C@H](O[C@@H]3C(CO)O[C@H](O[C@@H]4C(CO)O[C@H](O[C@H]5OC(CO)[C@@H](O)[C@H](O)C5O)C(O)[C@H]4O)C(O)[C@H]3O)C(O)[C@H]2O)C(O)[C@@H](O)[C@@H]1NC1C=C(CO)C(O)C(O)C1O
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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