input word = C00032076

Metabolite InformationStructural formula
Name Nodulapeptin A
Formula C44H63N7O13S
Mw 929.42045588
CAS RN 184682-36-8
C_ID C00032076 ,
InChIKey YTPAHVTZZQJJCC-DFISRZJPNA-N
InChICode InChI=1S/C45H65N7O12S/c1-6-28(2)38(44(60)61)51-45(62)50-33-14-10-11-26-46-39(55)34(22-15-29(3)53)48-42(58)37(24-19-31-16-20-32(54)21-17-31)52(4)43(59)36(23-18-30-12-8-7-9-13-30)49-41(57)35(47-40(33)56)25-27-65(5,63)64/h7-9,12-13,16-17,20-21,28,33-38,54H,6,10-11,14-15,18-19,22-27H2,1-5H3,(H,46,55)(H,47,56)(H,48,58)(H,49,57)(H,60,61)(H2,50,51,62)/t28-,33+,34-,35-,36-,37-,38-/m0/s1
SMILES C1(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)[C@@H](N1)CCC(=O)C)NC(=O)N[C@H](C(=O)O)[C@H](CC)C)CCS(=O)(=O)C)CCc1ccccc1)C)CCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
BacteriaNostocaceaeNodularia spumigena AV1 Ref.
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