input word = C00050177

Metabolite InformationStructural formula
Name Nostopeptin A
Formula C48H74N8O12
Mw 954.54261989
CAS RN 157744-21-3
C_ID C00050177 ,
InChIKey KKMAWFNZQASNQS-UHFFFAOYNA-N
InChICode InChI=1S/C48H74N8O12/c1-10-13-36(59)50-31(18-20-35(49)58)45(64)55-24-28(8)41-40(55)44(63)52-33(22-25(4)5)42(61)51-32-19-21-37(60)56(46(32)65)39(27(7)12-3)47(66)54(9)34(23-29-14-16-30(57)17-15-29)43(62)53-38(26(6)11-2)48(67)68-41/h14-17,25-28,31-34,37-41,57,60H,10-13,18-24H2,1-9H3,(H2,49,58)(H,50,59)(H,51,61)(H,52,63)(H,53,62)/t26-,27-,28-,31+,32+,33-,34-,37+,38-,39-,40-,41-/m0/s1
SMILES c1cc(ccc1C[C@H]1C(=O)N[C@H](C(=O)O[C@@H]2[C@@H](C(=O)N[C@H](C(=O)N[C@H]3C(=O)N([C@H](C(=O)N1C)[C@@H](C)CC)[C@@H](CC3)O)CC(C)C)N(C(=O)[C@H](NC(=O)CCC)CCC(=O)N)C[C@@H]2C)[C@@H](C)CC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNostoc minutum NIES-26 Ref.
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