input word = C00014963

Metabolite InformationStructural formula
Name SNA 60-367-9
Formula C74H114N12O20
Mw 1490.82723417
CAS RN 193738-72-6
C_ID C00014963 ,
InChIKey YSVUCLAEKACKML-WKEZDJNINA-N
InChICode InChI=1S/C74H114N12O20/c1-42(2)19-15-13-11-9-8-10-12-14-16-20-49(89)41-59(91)77-52(32-35-60(92)93)66(97)78-51(21-17-37-75)65(96)81-56-40-47-25-29-50(30-26-47)106-74(105)63(44(5)6)84-69(100)55(39-46-23-27-48(88)28-24-46)82-67(98)53(31-34-58(76)90)79-71(102)57-22-18-38-86(57)73(104)62(43(3)4)83-68(99)54(33-36-61(94)95)80-72(103)64(45(7)87)85-70(56)101/h23-30,42-45,49,51-57,62-64,87-89H,8-22,31-41,75H2,1-7H3,(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 CC(C)CCCCCCCCCCCC(O)CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN)C(=O)NC1Cc2ccc(cc2)OC(=O)[C@H](C(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]([C@H](C)O)NC1=O
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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