input word = C00032026

Metabolite InformationStructural formula
Name Mixirin A
Formula C48H74N12O14
Mw 1042.54474516
CAS RN 785835-22-5
C_ID C00032026 ,
InChIKey QPLUQODTAQYAFC-PHBBLCAQNA-N
InChICode InChI=1S/C48H74N12O14/c1-2-3-4-5-6-7-8-9-10-12-28-22-41(67)54-32(23-38(50)64)44(70)56-31(21-27-14-16-29(62)17-15-27)43(69)57-33(24-39(51)65)45(71)55-30(18-19-37(49)63)42(68)59-35(26-61)46(72)58-34(25-40(52)66)48(74)60-20-11-13-36(60)47(73)53-28/h14-17,28,30-36,61-62H,2-13,18-26H2,1H3,(H2,49,63)(H2,50,64)(H2,51,65)(H2,52,66)(H,53,73)(H,54,67)(H,55,71)(H,56,70)(H,57,69)(H,58,72)(H,59,68)/t28-,30+,31-,32+,33+,34+,35+,36-/m1/s1
SMILES N1C(=O)[C@@H]2N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C[C@H]1CCCCCCCCCCC)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CCC(=O)N)CO)CC(=O)N)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. Ref.
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