loading...| Preferred Name |
Goserelin |
|
| Synonyms |
Goserelin acetate Decapeptide I zoladex Goserelin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5523 |
|
| alternative term |
Goserelin acetate Decapeptide I zoladex Goserelin |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1327 CAS:65807-02-5 KEGG:D00573 HMDB:HMDB0014259 |
|
| formula |
C59H84N18O14 |
|
| has_exact_synonym |
Goserelin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Goserelin acetate Decapeptide I zoladex |
|
| id |
CHEBI:5523 |
|
| in_subset | ||
| 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 |
|
| label |
Goserelin |
|
| mass |
1269.413 |
|
| monoisotopicmass |
1268.64144 |
|
| notation |
CHEBI:5523 |
|
| prefLabel |
Goserelin |
|
| 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 |
|
| subClassOf |