input word = C00016154

Metabolite InformationStructural formula
Name YM 47141
N-[N2-[N-[6-Methyl-1,2,3-trioxo-4-[[N-[N-[N-(phenylacetyl)-L-phenylalanyl]-L-threonyl]-L-threonyl]amino]heptyl]-L-leucyl]-L-asparaginyl]-D-alanine pai-lactone
Formula C46H62N8O13
Mw 934.44363413
CAS RN 157951-38-7
C_ID C00016154 ,
InChIKey RLFDHDLZRRLOSI-GZNGRWAKNA-N
InChICode InChI=1S/C46H62N8O13/c1-23(2)18-30-38(58)39(59)45(65)52-31(19-24(3)4)41(61)51-33(22-34(47)56)40(60)48-25(5)46(66)67-27(7)37(44(64)50-30)54-43(63)36(26(6)55)53-42(62)32(20-28-14-10-8-11-15-28)49-35(57)21-29-16-12-9-13-17-29/h8-17,23-27,30-33,36-37,55H,18-22H2,1-7H3,(H2,47,56)(H,48,60)(H,49,57)(H,50,64)(H,51,61)(H,52,65)(H,53,62)(H,54,63)/t25-,26-,27-,30+,31+,32+,33+,36+,37+/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)Cc1ccccc1)[C@H](O)C)C)C)CC(=O)N)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
BacteriaFlexibacteraceaeFlexibacter sp. Q17897 Ref.
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