input word = C00014969

Metabolite InformationStructural formula
Name SNA 60-367-18
Formula C74H114N12O19
Mw 1474.83231955
CAS RN 193738-78-2
C_ID C00014969 ,
InChIKey NGDNPQANYNDBAJ-OZKJNSIPNA-N
InChICode InChI=1S/C74H114N12O19/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-25-59(90)77-52(35-38-60(91)92)66(96)78-51(23-21-40-75)65(95)81-56-43-48-28-32-50(33-29-48)105-74(104)63(45(5)8-2)84-69(99)55(42-47-26-30-49(88)31-27-47)82-67(97)53(34-37-58(76)89)79-71(101)57-24-22-41-86(57)73(103)62(44(3)4)83-68(98)54(36-39-61(93)94)80-72(102)64(46(6)87)85-70(56)100/h26-33,44-46,51-57,62-64,87-88H,7-25,34-43,75H2,1-6H3,(H2,76,89)(H,77,90)(H,78,96)(H,79,101)(H,80,102)(H,81,95)(H,82,97)(H,83,98)(H,84,99)(H,85,100)(H,91,92)(H,93,94)/t45-,46-,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)CCCCCCCCCCCCCCC)[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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