input word = C00039671

Metabolite InformationStructural formula
Name Lyngbyastatin 5
Formula C53H68N8O15
Mw 1056.48041356
CAS RN 957130-98-2
C_ID C00039671 ,
InChIKey KKTKZTTVMLKFOE-HOPCZRRCNA-N
InChICode InChI=1S/C53H68N8O15/c1-7-36-46(68)57-38-23-24-42(66)61(51(38)73)40(26-32-11-9-8-10-12-32)52(74)60(6)39(25-33-15-20-35(64)21-16-33)48(70)58-43(28(2)3)53(75)76-30(5)44(50(72)55-36)59-47(69)37(22-17-31-13-18-34(63)19-14-31)56-45(67)29(4)54-49(71)41(65)27-62/h7-16,18-21,28-30,37-44,62-66H,17,22-27H2,1-6H3,(H,54,71)(H,55,72)(H,56,67)(H,57,68)(H,58,70)(H,59,69)/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](CO)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 spp. Ref.
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