-OEChem-02281210092D

 18 19  0     1  0  0  0  0  0999 V2000
    8.1615   -3.5069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2898   -3.4926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8644   -5.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7248   -4.3196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -5.9770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2911   -5.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -4.7333    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8635   -5.9741    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4413   -4.7394    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0093   -4.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058   -5.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1572   -4.3311    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2911   -4.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4377   -5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5772   -5.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686   -4.7469    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5846   -4.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4374   -3.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  2 13  2  0  0  0  0
 16  3  1  6  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  2  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  6  0  0  0
 10 11  2  0  0  0  0
 10 13  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
93581510

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:59560

> <PUBCHEM_SUBSTANCE_COMMENT>
The active enantiomer of tetrahydrobiopterin, sapropterin is a natural co-factor of the three aromatic amino acid hydroxylase enzymes responsible for the conversion of phenylalanine to tyrosine, tyrosine to L-dopa, and tryptophan to 5-hydroxytryptophan. These conversions are particularly important in the biosynthesis of the neurotransmitters serotonin, melatonin, dopamine, noradrenaline and adrenaline. Sapropterin is also an essential cofactor in the biosynthesis of nitric oxide. It is used as its dihydrochloride for the diagnosis and treatment of variant forms of phenylketonuria (hyperphenylalaninaemia) associated with tetrahydrobiopterin deficiency.

> <PUBCHEM_SUBSTANCE_SYNONYM>
(-)-(6R)-2-amino-6-((1R,2S)-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4(3H)-pteridinone
(6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one
(6R)-L-erythro-tetrahydrobiopterin
6R-5,6,7,8-tetrahydrobiopterin
6R-BH4
6R-L-5,6,7,8-tetrahydrobiopterin
CHEBI:59560
R-THBP
sapropterin
sapropterina
sapropterinum
tetrahydrobiopterin

> <PUBCHEM_XREF_EXT_ID>
CHEBI:59560

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:59560

> <PUBCHEM_CID_ASSOCIATIONS>
44257  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
12  1  5
16  3  6
9  18  6

$$$$