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CHEBI:32120 - sapropterin dihydrochloride

ChEBI IDCHEBI:32120
ChEBI Namesapropterin dihydrochloride
Stars
DefinitionThe 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.
Last Modified20 February 2012
DownloadsMolfile
FormulaC9H15N5O3.2HCl
Net Charge0
Average Mass314.173
Monoisotopic Mass313.07084
SMILESCl.Cl.[H][C@]1([C@@H](O)[C@H](C)O)CNc2nc(N)nc(=O)c2N1
InChIInChI=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
InChIKeyRKSUYBCOVNCALL-NTVURLEBSA-N
Roles Classification
Biological Role:
coenzyme  A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons.
Application:
diagnostic agent  A substance administered to aid diagnosis of a disease.
ChEBI Ontology
Outgoing Relation(s)
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  Source
sapropterin hydrochlorideKEGG DRUG
sapropterin dihydrochlorideKEGG DRUG
(6R)-tetrahydrobiopterin hydrochlorideChemIDplus
sapropterin 2HClChEBI
(6R)-tetrahydrobiopterin dihydrochlorideChEBI
Manual XrefsDatabases
D01798KEGG DRUG
Registry NumbersSources
Beilstein:4613446Beilstein
Reaxys:12490572Reaxys
CAS:69056-38-8KEGG DRUG
CAS:69056-38-8ChemIDplus
Citations