Metabolites

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  1. Adenosine 5′-diphosphate, Agonist of P2Y 11 receptor;Agonist of P2Y 12 receptor;Agonist of P2Y 13 receptor;Agonist of P2Y 1 receptor;Agonist of P2Y 6 receptor;Gating inhibitor of TRPM4
    Cas#: 58-64-0        Compound CID:  6022
    Formula:  C10H15N5O10P2        Molecular Weight: 427.2
    IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O
    InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
    InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    Synonyms: Adenosine 5'-(trihydrogen diphosphate) | 5'-Adenylphosphoric acid | ADP | Adenosindiphosphorsaeure | ADP (nucleotide)...
  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. Adenosine 5′-diphosphate, Agonist of P2Y 11 receptor;Agonist of P2Y 12 receptor;Agonist of P2Y 13 receptor;Agonist of P2Y 1 receptor;Agonist of P2Y 6 receptor;Gating inhibitor of TRPM4
    Cas#: 58-64-0        Compound CID:  6022
    Formula:  C10H15N5O10P2        Molecular Weight: 427.2
    IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    SMILES: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O
    InChIKey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
    InChI: InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
    Synonyms: Adenosine 5'-diphosphate|Adenosine diphosphate|58-64-0|adenosine-5'-diphosphate|ADP|Adenosine 5'-(trihydrogen diphosp...
  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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