CHEBI:5523 - Goserelin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Goserelin
ChEBI ID CHEBI:5523
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C59H84N18O14
C59H84N18O14
Net Charge 0
Average Mass 1269.413
Monoisotopic Mass 1268.641
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
View more database links
Registry Number Type Source
65807-02-5 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017