input word = C00039669

Metabolite InformationStructural formula
Name Lyngbyastatin 1
Formula C51H82N8O12
Mw 998.60522014
CAS RN 213530-41-7
C_ID C00039669 ,
InChIKey MKKWMLGEOYGWEO-UHFFFAOYNA-N
InChICode InChI=1S/C51H82N8O12/c1-18-30(7)42-47(66)53-26-39(60)57(14)37(24-28(3)4)45(64)52-27-40(61)59(16)41(29(5)6)48(67)58(15)38(25-34-20-22-35(70-17)23-21-34)46(65)54-32(9)43(62)51(11,12)50(69)56(13)33(10)44(63)55-36(19-2)31(8)49(68)71-42/h20-23,28-33,36-38,41-42H,18-19,24-27H2,1-17H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t30-,31+,32-,33-,36-,37-,38+,41-,42-/m0/s1
SMILES C1(=O)C(C(=O)N([C@H](C(=O)N[C@H]([C@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@H]1C)Cc1ccc(cc1)OC)C)C(C)C)C)CC(C)C)C)[C@@H](C)CC)C)CC)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Blennothrix cantharidosmum Ref.
--Lyngbya majuscula Ref.
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