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CHEBI:5523 - Goserelin

Default Structure
ChEBI IDCHEBI:5523
ChEBI NameGoserelin
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC59H84N18O14
Net Charge0
Average Mass1269.433
Monoisotopic Mass1268.64144
SMILESCC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
InChIInChI=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
InChIKeyBLCLNMBMMGCOAS-URPVMXJPSA-N
ChEBI Ontology
Outgoing Relation(s)
Goserelin (CHEBI:5523) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
Decapeptide IDrugCentral
GoserelinKEGG COMPOUND
Goserelin acetateKEGG COMPOUND
zoladexDrugCentral
Manual XrefsDatabases
1327DrugCentral
D00573KEGG DRUG
HMDB0014259HMDB
Registry NumbersSources
CAS:65807-02-5KEGG COMPOUND