input word = C00016155

Metabolite InformationStructural formula
Name YM 47142
N-[N2-[N-[6-Methyl-4-[[N-[N-[N-(3-methyl-1-oxobutyl)-L-phenylalanyl]-L-threonyl]-L-threonyl]amino]-1,2,3-trioxoheptyl]-L-leucyl]-L-asparaginyl]-D-alanine pai-lactone
Formula C43H64N8O13
Mw 900.45928419
CAS RN 157951-40-1
C_ID C00016155 ,
InChIKey WDOYVAJHZHVZQI-XDWAENJCNA-N
InChICode InChI=1S/C43H64N8O13/c1-20(2)15-27-35(55)36(56)42(62)49-28(16-21(3)4)38(58)48-30(19-31(44)53)37(57)45-23(7)43(63)64-25(9)34(41(61)47-27)51-40(60)33(24(8)52)50-39(59)29(46-32(54)17-22(5)6)18-26-13-11-10-12-14-26/h10-14,20-25,27-30,33-34,52H,15-19H2,1-9H3,(H2,44,53)(H,45,57)(H,46,54)(H,47,61)(H,48,58)(H,49,62)(H,50,59)(H,51,60)/t23-,24-,25-,27+,28+,29+,30+,33+,34+/m1/s1
SMILES [C@@H]1(C(=O)N[C@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)C(=O)C(=O)N1)CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(C)C)[C@H](O)C)C)C)CC(=O)N)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaFlexibacteraceaeFlexibacter sp. Q17897 Ref.
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