CHEBI:5523 - Goserelin

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ChEBI Name Goserelin ChEBI ID CHEBI:5523 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 C59H84N18O14 C59H84N18O14 Net Charge 0 Average Mass 1269.413 Monoisotopic Mass 1268.64144 InChI InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40-,41-,42-,43-,44-,45+,46-/m0/s1 InChIKey BLCLNMBMMGCOAS-URPVMXJPSA-N SMILES C([C@H](NC([C@H](CC1=CNC=N1)NC(=O)[C@@H]2CCC(N2)=O)=O)C(N[C@H](C(N[C@@H](CC3=CC=C(C=C3)O)C(N[C@@H](C(N[C@H](C(N[C@H](C(=O)N4[C@H](C(NNC(N)=O)=O)CCC4)CCCNC(=N)N)=O)CC(C)C)=O)COC(C)(C)C)=O)=O)CO)=O)C=5C6=C(NC5)C=CC=C6 ChEBI Ontology Outgoing Goserelin (CHEBI:5523) is a organic molecular entity (CHEBI:50860) Synonyms Sources Decapeptide I DrugCentral Goserelin KEGG COMPOUND Goserelin acetate KEGG COMPOUND zoladex DrugCentral Manual Xrefs Databases 1327 DrugCentral D00573 KEGG DRUG HMDB0014259 HMDB View more database links Registry Number Type Source 65807-02-5 CAS Registry Number KEGG COMPOUND Last Modified 22 February 2017