input word = C00014961

Metabolite InformationStructural formula
Name SNA 60-367-5
Formula C74H114N12O20
Mw 1490.82723417
CAS RN 193738-70-4
C_ID C00014961 ,
InChIKey GHWIRHUMSKYNIJ-UDIMRXPQNA-N
InChICode InChI=1S/C74H114N12O20/c1-8-44(6)63-74(105)106-50-29-25-47(26-30-50)40-56(81-65(96)51(21-17-37-75)78-66(97)52(32-35-60(92)93)77-59(91)41-49(89)20-16-14-12-10-9-11-13-15-19-42(2)3)70(101)85-64(45(7)87)72(103)80-54(33-36-61(94)95)68(99)83-62(43(4)5)73(104)86-38-18-22-57(86)71(102)79-53(31-34-58(76)90)67(98)82-55(69(100)84-63)39-46-23-27-48(88)28-24-46/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)/t44-,45-,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@@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(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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