input word = C00027813

Metabolite InformationStructural formula
Name Aeruginosin 205B
Formula C34H53ClN6O12S
Mw 804.31306964
CAS RN 187521-09-1
C_ID C00027813 ,
InChIKey DZCMECJEYSAXKP-KOXRPDIUNA-N
InChICode InChI=1S/C34H53ClN6O12S/c1-18(2)29(52-33-28(44)27(43)24(42)17-51-33)26(40-31(46)25(53-54(48,49)50)14-19-8-4-3-5-9-19)32(47)41-22-16-21(35)11-10-20(22)15-23(41)30(45)38-12-6-7-13-39-34(36)37/h3-5,8-9,18,20-29,33,42-44H,6-7,10-17H2,1-2H3,(H,38,45)(H,40,46)(H4,36,37,39)(H,48,49,50)/t20-,21-,22-,23-,24-,25+,26-,27-,28-,29+,33-/m0/s1
SMILES N1([C@@H](C[C@H]2[C@@H]1C[C@H](CC2)Cl)C(=O)NCCCCNC(=N)N)C(=O)[C@H]([C@H](O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)C(C)C)NC(=O)[C@@H](Cc1ccccc1)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
--Oscillatoria agardhii Ref.
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