sapropterin dihydrochloride (CHEBI:32120)

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ChEBI Name	sapropterin dihydrochloride

ChEBI ID	CHEBI:32120

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

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

InChIKey

RKSUYBCOVNCALL-NTVURLEBSA-N

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.

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)

IUPAC Name

(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

Last Modified

20 February 2012