input word = C00039670

Metabolite InformationStructural formula
Name Lyngbyastatin 4
Formula C53H68N8O18S
Mw 1136.43722816
CAS RN 928202-70-4
C_ID C00039670 ,
InChIKey QVBXBGIPSMEBEL-HOPCZRRCNA-N
InChICode InChI=1S/C53H68N8O18S/c1-7-36-46(67)57-38-23-24-42(65)61(51(38)72)40(26-32-11-9-8-10-12-32)52(73)60(6)39(25-33-15-20-35(63)21-16-33)48(69)58-43(28(2)3)53(74)79-30(5)44(50(71)55-36)59-47(68)37(22-17-31-13-18-34(62)19-14-31)56-45(66)29(4)54-49(70)41(64)27-78-80(75,76)77/h7-16,18-21,28-30,37-44,62-65H,17,22-27H2,1-6H3,(H,54,70)(H,55,71)(H,56,66)(H,57,67)(H,58,69)(H,59,68)(H,75,76,77)/b36-7-/t29-,30+,37-,38-,39-,40-,41+,42+,43-,44-/m0/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N/C(=C\C)/C(=O)N[C@@H]1C2=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](COS(=O)(=O)O)O)CCc1ccc(cc1)O)C)C(C)C)Cc1ccc(cc1)O)C)Cc1ccccc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
--Lyngbya confervoides Ref.
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