triptorelin (CHEBI:63633)

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CHEBI:63633 - triptorelin

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ChEBI ID	CHEBI:63633
ChEBI Name	triptorelin
Stars
Definition	An oligopeptide comprising pyroglutamyl, histidyl, tryptophyl, seryl, tyrosyl, D-tryptophyl, leucyl, arginyl, prolyl and glycinamide residues joined in sequence. It is an agonist analogue of gonadotropin-releasing hormone.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C64H82N18O13
Net Charge	0
Average Mass	1311.473
Monoisotopic Mass	1310.63087
SMILES	CC(C)C[C@H](NC(=O)[C@@H](Cc1cnc2ccccc12)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)NCC(N)=O
InChI	InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1
InChIKey	VXKHXGOKWPXYNA-PGBVPBMZSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:	gonadotropin releasing hormone agonist Any drug which binds to gonadotropin-releasing hormone receptors and triggers a response.
Applications:	gonadotropin releasing hormone agonist Any drug which binds to gonadotropin-releasing hormone receptors and triggers a response. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. contraceptive drug A chemical substance that prevents or reduces the probability of conception.

ChEBI Ontology

Outgoing Relation(s)
	triptorelin (CHEBI:63633) has role antineoplastic agent (CHEBI:35610)
	triptorelin (CHEBI:63633) has role contraceptive drug (CHEBI:49323)
	triptorelin (CHEBI:63633) has role gonadotropin releasing hormone agonist (CHEBI:63533)
	triptorelin (CHEBI:63633) is a oligopeptide (CHEBI:25676)

IUPAC Name
5-oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-L-prolylglycinamide

INNs	Source
triptorelina	ChemIDplus
triptorelin	ChemIDplus
triptorelinum	ChemIDplus
triptoreline	ChemIDplus

Synonyms	Source
pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH₂	ChEBI
Luteinizing hormone-releasing factor (pig), 6-D-tryptophan	ChemIDplus
(D-Trp6)-GnRH	ChemIDplus
(6-D-Tryptophan)luteinizing hormone-releasing hormone	ChemIDplus

Manual Xrefs	Databases
Triptorelin	Wikipedia
EP1354952	Patent
US2002111603	Patent
D06247	KEGG DRUG
2968	DrugCentral

Registry Numbers	Sources
Reaxys:9317315	Reaxys
CAS:57773-63-4	ChemIDplus

Citations