Metabolites

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  1. Tetrahydrobiopterin, Activator of L-Phenylalanine hydroxylase
    Cas#: 17528-72-2        Compound CID:  135402045
    Formula:  C9H15N5O3        Molecular Weight: 241.25
    IUPAC Name: 2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
    SMILES: CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
    InChIKey: FNKQXYHWGSIFBK-UHFFFAOYSA-N
    InChI: InChI=1S/C9H15N5O3/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)
    Synonyms: tetrahydrobiopterin | HY-107383 | 1-(2-amino-4-hydroxy-5,6,7,8-tetrahydropteridin-6-yl)propane-1,2-diol | 5-26-18-004...
  2. α-Methyl-DL-phenylalanine, Inhibitor of L-Phenylalanine hydroxylase
    Cas#: 1132-26-9        Compound CID:  108055
    Formula:  C10H13NO2        Molecular Weight: 179.22
    IUPAC Name: 2-amino-2-methyl-3-phenylpropanoic acid
    SMILES: CC(CC1=CC=CC=C1)(C(=O)O)N
    InChIKey: HYOWVAAEQCNGLE-UHFFFAOYSA-N
    InChI: InChI=1S/C10H13NO2/c1-10(11,9(12)13)7-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)
    Synonyms: alpha-Methyl-DL-phenylalanine|1132-26-9|2-amino-2-methyl-3-phenylpropanoic acid|2-Amino-2-methyl-3-phenylpropionic ac...
  3. 4-Aminobutyric Acid
    Cas#: 56-12-2       
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name: 4-aminobutanoic acid
    SMILES: C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
  4. GABA
    Cas#: 56-12-2       
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name: 4-aminobutanoic acid
    SMILES: C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 3-Carboxypropylamine | 4-amino-n-butyric acid | butanoic acid, 4-amino- | EPA Pesticide Chemical Code 030802 | Gammal...
  5. γ-Aminobutyric acid, Agonist of GABA B1;Agonist of GABA B receptor
    Cas#: 56-12-2       
    Formula:  C4H9NO2        Molecular Weight: 103.12
    IUPAC Name: 4-aminobutanoic acid
    SMILES: C(CC(=O)O)CN
    InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N
    InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
    Synonyms: 4-aminobutyric acid|4-Aminobutanoic acid|gamma-aminobutyric acid|GABA|56-12-2|Piperidic acid|Piperidinic acid|Aminalo...
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