input word = C00014936

Metabolite InformationStructural formula
Name Glycinocin A
Formula C57H90N12O19
Mw 1246.64451878
CAS RN 634584-45-5
C_ID C00014936 ,
InChIKey JHAQMJWHVDTRJM-IIOYWSRDNA-N
InChICode InChI=1S/C57H90N12O19/c1-6-33(4)48-57(88)69-24-18-21-40(69)53(84)58-28-38(65-52(83)37(27-47(79)80)62-41(71)22-15-13-11-9-7-8-10-12-14-19-32(2)3)56(87)68-23-17-16-20-39(68)54(85)61-30-43(73)64-35(25-45(75)76)50(81)59-29-42(72)63-36(26-46(77)78)51(82)60-31-44(74)66-49(34(5)70)55(86)67-48/h15,22,32-40,48-49,70H,6-14,16-21,23-31H2,1-5H3,(H,58,84)(H,59,81)(H,60,82)(H,61,85)(H,62,71)(H,63,72)(H,64,73)(H,65,83)(H,66,74)(H,67,86)(H,75,76)(H,77,78)(H,79,80)/b22-15+/t33-,34+,35-,36-,37-,38-,39+,40-,48-,49+/m0/s1
SMILES N12C(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]3N(C(=O)[C@H](CNC(=O)[C@@H]1CCC2)NC(=O)[C@H](CC(=O)O)NC(=O)/C=C/CCCCCCCCCC(C)C)CCCC3)CC(=O)O)CC(=O)O)[C@@H](C)O)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Actinomycete sp. Ref.
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