CHEBI:5521 - Gonadorelin hydrochloride

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ChEBI Name Gonadorelin hydrochloride ChEBI ID CHEBI:5521 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C55H75N17O13.HCl C55H76ClN17O13 Net Charge 0 Average Mass 1218.753 Monoisotopic Mass 1217.54970 InChI InChI=1S/C55H75N17O13.ClH/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H/t36-,37-,38-,39-,40-,41-,42-,43-;/m0./s1 InChIKey UPRWQSQENCASAD-HBBGHHHDSA-N SMILES Cl.C=12C(C[C@H](NC([C@H](CC3=CN=CN3)NC([C@H]4NC(=O)CC4)=O)=O)C(N[C@H](C(N[C@@H](CC5=CC=C(O)C=C5)C(NCC(N[C@H](C(N[C@H](C(N6[C@@H](CCC6)C(NCC(N)=O)=O)=O)CCCNC(N)=N)=O)CC(C)C)=O)=O)=O)CO)=O)=CNC1C=CC=C2 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing Gonadorelin hydrochloride (CHEBI:5521) is a polypeptide (CHEBI:15841) Synonym Source Gonadorelin hydrochloride KEGG COMPOUND Manual Xref Database D00988 KEGG DRUG View more database links Registry Number Type Source 51952-41-1 CAS Registry Number KEGG COMPOUND Last Modified 06 March 2017