input word = C00054199

Metabolite InformationStructural formula
Name Catfish GnRH-I
Formula C50H67N17O13
Mw 1113.51042535
CAS RN 144978-60-9
C_ID C00054199
InChIKey QBWBXPMJBZUUEL-QSVFAHTRSA-N
InChICode InChI=1S/C50H67N17O13/c1-25(2)12-32(45(75)65-36(16-39(51)69)50(80)67-11-5-8-38(67)49(79)56-20-40(52)70)61-42(72)21-57-43(73)34(14-27-18-53-23-58-27)63-48(78)37(22-68)66-46(76)33(13-26-17-55-30-7-4-3-6-29(26)30)62-47(77)35(15-28-19-54-24-59-28)64-44(74)31-9-10-41(71)60-31/h3-4,6-7,17-19,23-25,31-38,55,68H,5,8-16,20-22H2,1-2H3,(H2,51,69)(H2,52,70)(H,53,58)(H,54,59)(H,56,79)(H,57,73)(H,60,71)(H,61,72)(H,62,77)(H,63,78)(H,64,74)(H,65,75)(H,66,76)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaClariidaeClarias batrachus Ref.
AnimaliaClariidaeClarias gariepinus Ref.
AnimaliaClariidaeClarias macrocephalus Ref.
zoom in