input word = C00057607

Metabolite InformationStructural formula
Name Salmon GnRH
Formula C60H73N15O13
Mw 1211.55122753
CAS RN 86073-88-3
C_ID C00057607
InChIKey NMJREATYWWNIKX-XJIZABAQSA-N
InChICode InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
SMILES CC(C[C@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H]1CCC(O)=N1)=O)CC2=CN=CN2)=O)CC3=CNC4=CC=CC=C34)=O)CO)=O)CC5=CC=C(O)C=C5)=O)=O)CC6=CNC7=CC=CC=C67)=O)C(N8CCC[C@H]8C(NCC(N)=O)=O)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaSalmonidaeOncorhynchus keta Ref.
--Clupea harrengus pallasi Ref.
--Sparus aurata Ref.
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