Metabolites

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  1. (R)-(+)-α-Lipoic acid
    Cas#: 1200-22-2        Compound CID:  6112
    Formula:  C8H14O2S2        Molecular Weight: 206.33
    IUPAC Name: 5-[(3R)-dithiolan-3-yl]pentanoic acid
    SMILES: C1CSSC1CCCCC(=O)O
    InChIKey: AGBQKNBQESQNJD-SSDOTTSWSA-N
    InChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m1/s1
    Synonyms: lipoic acid|1200-22-2|(R)-lipoic acid|(R)-5-(1,2-Dithiolan-3-yl)pentanoic acid|(R)-alpha-Lipoic acid|(R)-(+)-1,2-Dith...
  2. 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...
  3. 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...
  4. 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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