CHEBI:32120 - sapropterin dihydrochloride

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ChEBI Name sapropterin dihydrochloride
Definition The dihydrochloride salt of sapropterin. It is used for the diagnosis and treatment of variant forms of phenylketonuria (hyperphenylalaninaemia) associated with tetrahydrobiopterin deficiency. Natural cofactor for phenylalanine hydroxylase, tyrosine hydroxylase, tryptophan hydroxylase, and nitric oxide synthetase.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H17Cl2N5O3
Net Charge 0
Average Mass 314.16900
Monoisotopic Mass 313.07084
InChI InChI=1S/C9H15N5O3.2ClH/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7;;/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17);2*1H/t3-,4+,6-;;/m0../s1
SMILES Cl.Cl.[H][C@@]1(CNc2nc(N)[nH]c(=O)c2N1)[C@@H](O)[C@H](C)O
Roles Classification
Biological Role(s): coenzyme
A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
Application(s): diagnostic agent
A substance administered to aid diagnosis of a disease.
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ChEBI Ontology
Outgoing sapropterin dihydrochloride (CHEBI:32120) has part sapropterin (CHEBI:59560)
sapropterin dihydrochloride (CHEBI:32120) has role coenzyme (CHEBI:23354)
sapropterin dihydrochloride (CHEBI:32120) has role diagnostic agent (CHEBI:33295)
sapropterin dihydrochloride (CHEBI:32120) is a hydrochloride (CHEBI:36807)
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one dihydrochloride
Synonyms Sources
(6R)-tetrahydrobiopterin dihydrochloride ChEBI
(6R)-tetrahydrobiopterin hydrochloride ChemIDplus
sapropterin 2HCl ChEBI
sapropterin dihydrochloride KEGG DRUG
sapropterin hydrochloride KEGG DRUG
Manual Xref Database
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Registry Numbers Types Sources
12490572 Reaxys Registry Number Reaxys
4613446 Beilstein Registry Number Beilstein
69056-38-8 CAS Registry Number ChemIDplus
69056-38-8 CAS Registry Number KEGG DRUG
Citations Waiting for Citations Types Sources
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Last Modified
20 February 2012