input word = C00014966

Metabolite InformationStructural formula
Name SNA 60-367-13
Formula C75H116N12O20
Mw 1504.84288424
CAS RN 193738-75-9
C_ID C00014966 ,
InChIKey NJYXQFIVDKXERR-YDXBWQHVNA-N
InChICode InChI=1S/C75H116N12O20/c1-8-45(6)64-75(106)107-51-30-26-48(27-31-51)41-57(82-66(97)52(22-18-38-76)79-67(98)53(33-36-61(93)94)78-60(92)42-50(90)21-17-15-13-11-9-10-12-14-16-20-43(2)3)71(102)86-65(46(7)88)73(104)81-55(34-37-62(95)96)69(100)84-63(44(4)5)74(105)87-39-19-23-58(87)72(103)80-54(32-35-59(77)91)68(99)83-56(70(101)85-64)40-47-24-28-49(89)29-25-47/h24-31,43-46,50,52-58,63-65,88-90H,8-23,32-42,76H2,1-7H3,(H2,77,91)(H,78,92)(H,79,98)(H,80,103)(H,81,104)(H,82,97)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,93,94)(H,95,96)/t45-,46-,50+,52-,53-,54-,55-,56+,57-,58-,63+,64-,65+/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)CCCCCCCCCCCC(C)C)[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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OrganismBacillus sp. SNA-60-367
ReferenceEsumi,J.Antibiotics 56,(2003),716