input word = C00054736

Metabolite InformationStructural formula
Name Alligator GnRH-II
Ratfish GnRH
Formula C60H69N17O13
Mw 1235.52607542
CAS RN 91097-16-4
C_ID C00054736
InChIKey JNVXACSECVMTSD-XJIZABAQSA-N
InChICode InChI=1S/C60H69N17O13/c61-50(80)27-66-59(89)49-10-5-17-77(49)60(90)47(18-32-11-13-37(79)14-12-32)75-55(85)43(19-33-23-64-40-8-3-1-6-38(33)40)71-52(82)28-67-53(83)45(21-35-25-62-30-68-35)73-58(88)48(29-78)76-56(86)44(20-34-24-65-41-9-4-2-7-39(34)41)72-57(87)46(22-36-26-63-31-69-36)74-54(84)42-15-16-51(81)70-42/h1-4,6-9,11-14,23-26,30-31,42-49,64-65,78-79H,5,10,15-22,27-29H2,(H2,61,80)(H,62,68)(H,63,69)(H,66,89)(H,67,83)(H,70,81)(H,71,82)(H,72,87)(H,73,88)(H,74,84)(H,75,85)(H,76,86)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
SMILES N=C(O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)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
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaClariidaeClarias sp. Ref.
--Clupea harengus pallasi Ref.
--Hydrolagus colliei Ref.
--Sparus aurata Ref.
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OrganismClarias sp.
ReferenceKing, J.A. et al., J. Biol. Chem., 1982, 257, 10729-10732 (isol, struct, chicken)