input word = C00014959

Metabolite InformationStructural formula
Name SNA 60-367-2
Formula C72H110N12O20
Mw 1462.79593404
CAS RN 193738-68-0
C_ID C00014959 ,
InChIKey FTJPYILLHHIIOP-UHFFFAOYNA-N
InChICode InChI=1S/C72H110N12O20/c1-7-42(4)61-72(103)104-49-28-24-46(25-29-49)39-55(80-64(95)50(20-16-36-73)77-65(96)51(31-34-59(90)91)76-58(89)40-48(87)19-15-13-11-9-8-10-12-14-18-41(2)3)68(99)83-62(44(6)85)70(101)79-53(32-35-60(92)93)63(94)75-43(5)71(102)84-37-17-21-56(84)69(100)78-52(30-33-57(74)88)66(97)81-54(67(98)82-61)38-45-22-26-47(86)27-23-45/h22-29,41-44,48,50-56,61-62,85-87H,7-21,30-40,73H2,1-6H3,(H2,74,88)(H,75,94)(H,76,89)(H,77,96)(H,78,100)(H,79,101)(H,80,95)(H,81,97)(H,82,98)(H,83,99)(H,90,91)(H,92,93)/t42-,43+,44+,48-,50-,51-,52-,53-,54-,55-,56+,61-,62+/m0/s1
SMILES [C@H]12N(C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](Cc3ccc(OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC(=O)N)Cc1ccc(cc1)O)[C@@H](C)CC)cc3)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@@H](O)CCCCCCCCCCC(C)C)[C@@H](C)O)CCC(=O)O)C)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus sp. SNA-60-367 Ref.
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