Metabolites

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  1. S-(5′-Adenosyl)-L-homocysteine (SAH)
    Cas#: 979-92-0        Compound CID:  439155
    Formula:  C14H20N6O5S        Molecular Weight: 384.41
    IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
    InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
    InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
    Synonyms: 5'-Deoxy-S-adenosyl-L-homocysteine | CCG-208703 | S-(5'-Adenosyl)-L-homocysteine, crystalline | S-(5'-Deoxyadenosine-...
  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. S-(5′-Adenosyl)-L-homocysteine
    Cas#: 979-92-0        Compound CID:  439155
    Formula:  C14H20N6O5S        Molecular Weight: 384.41
    IUPAC Name: (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
    InChIKey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
    InChI: InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
    Synonyms: S-adenosylhomocysteine|S-adenosyl-L-homocysteine|979-92-0|AdoHcy|S-(5'-adenosyl)-L-homocysteine|S-(5'-deoxyadenosin-5...
  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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