input word = C00014968

Metabolite InformationStructural formula
Name SNA 60-367-17
Formula C74H114N12O19
Mw 1474.83231955
CAS RN 193738-77-1
C_ID C00014968 ,
InChIKey NBIYGOFEGHWDDV-YKNJIPLLNA-N
InChICode InChI=1S/C74H114N12O19/c1-8-45(6)63-74(104)105-50-31-27-48(28-32-50)42-56(81-65(95)51(22-19-39-75)78-66(96)52(34-37-60(91)92)77-59(90)24-18-16-14-12-10-9-11-13-15-17-21-43(2)3)70(100)85-64(46(7)87)72(102)80-54(35-38-61(93)94)68(98)83-62(44(4)5)73(103)86-40-20-23-57(86)71(101)79-53(33-36-58(76)89)67(97)82-55(69(99)84-63)41-47-25-29-49(88)30-26-47/h25-32,43-46,51-57,62-64,87-88H,8-24,33-42,75H2,1-7H3,(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)CCCCCCCCCCCCC(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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