input word = C00014971

Metabolite InformationStructural formula
Name SNA 60-367-21
Formula C74H114N12O19
Mw 1474.83231955
CAS RN 193738-80-6
C_ID C00014971 ,
InChIKey LLUAWRSJAINQIE-UHFFFAOYNA-N
InChICode InChI=1S/C74H114N12O19/c1-7-44(4)22-18-16-14-12-10-11-13-15-17-19-25-60(90)77-53(35-38-61(91)92)66(96)79-52(23-20-40-75)65(95)82-57-43-48-28-32-50(33-29-48)105-74(104)63(45(5)8-2)84-69(99)56(42-47-26-30-49(88)31-27-47)83-68(98)54(34-37-59(76)89)80-71(101)58-24-21-41-86(58)73(103)51(9-3)78-67(97)55(36-39-62(93)94)81-72(102)64(46(6)87)85-70(57)100/h26-33,44-46,51-58,63-64,87-88H,7-25,34-43,75H2,1-6H3,(H2,76,89)(H,77,90)(H,78,97)(H,79,96)(H,80,101)(H,81,102)(H,82,95)(H,83,98)(H,84,99)(H,85,100)(H,91,92)(H,93,94)/t44-,45-,46+,51+,52+,53+,54-,55-,56-,57-,58+,63-,64-/m1/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)CCCCCCCCCCCC[C@@H](CC)C)[C@H](C)O)CCC(=O)O)CC)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