Chemical Entities of Biological Interest Ontology

Last uploaded: November 5, 2024
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Preferred Name

Gonadorelin hydrochloride
Synonyms

Gonadorelin hydrochloride
ID

http://purl.obolibrary.org/obo/CHEBI_5521
charge

0
database_cross_reference

CAS:51952-41-1

KEGG:D00988
formula

C55H76ClN17O13

C55H75N17O13.HCl
has_exact_synonym

Gonadorelin hydrochloride
has_obo_namespace

chebi_ontology
id

CHEBI:5521
in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR
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
label

Gonadorelin hydrochloride
mass

1218.753
monoisotopicmass

1217.54970
notation

CHEBI:5521
prefLabel

Gonadorelin hydrochloride
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
treeView

http://purl.obolibrary.org/obo/CHEBI_15841
subClassOf

http://purl.obolibrary.org/obo/CHEBI_15841
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