input word = C00014962

Metabolite InformationStructural formula
Name SNA 60-367-8
Formula C74H114N12O20
Mw 1490.82723417
CAS RN 193738-71-5
C_ID C00014962 ,
InChIKey LHAAAQHVADRZQQ-WKEZDJNINA-N
InChICode InChI=1S/C74H114N12O20/c1-7-8-9-10-11-12-13-14-15-16-17-18-21-49(89)42-59(91)77-52(33-36-60(92)93)66(97)78-51(22-19-38-75)65(96)81-56-41-47-26-30-50(31-27-47)106-74(105)63(44(4)5)84-69(100)55(40-46-24-28-48(88)29-25-46)82-67(98)53(32-35-58(76)90)79-71(102)57-23-20-39-86(57)73(104)62(43(2)3)83-68(99)54(34-37-61(94)95)80-72(103)64(45(6)87)85-70(56)101/h24-31,43-45,49,51-57,62-64,87-89H,7-23,32-42,75H2,1-6H3,(H2,76,90)(H,77,91)(H,78,97)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,92,93)(H,94,95)/t45-,49+,51-,52-,53-,54-,55+,56-,57-,62+,63-,64+/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(C)C)cc3)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)C[C@H](O)CCCCCCCCCCCCCC)[C@H](C)O)CCC(=O)O)C(C)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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