Metabolites

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  1. Adenosine
    Cas#: 58-61-7        Compound CID:  60961
    Formula:  C10H13N5O4        Molecular Weight: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: Applicell Miracle | Adenin riboside | U-max Wrinkle Serum | Adenine riboside | N6-Methylado | 4cki | Limulus Nourishi...
  2. Adenosine, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor;Inhibitor of phosphatidylinositol 4-kinase type 2 alpha;Inhibitor of phosphatidylinositol 4-kinase type 2 beta;Channel blocker of TRPM4
    Cas#: 58-61-7        Compound CID:  60961
    Formula:  C10H13N5O4        Molecular Weight: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: Applicell Miracle | Adenin riboside | U-max Wrinkle Serum | Adenine riboside | N6-Methylado | 4cki | Limulus Nourishi...
  3. Adenosine
    Cas#: 58-61-7        Compound CID:  60961
    Formula:  C10H13N5O4        Molecular Weight: 267.24
    IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N
    InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
    InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: Adenine riboside | 9-beta-D-Ribofuranosidoadenine | 9-beta-D-Ribofuranosyl-9H-purin-6-amine | beta-D-Ribofuranoside, ...
  4. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: AMY18102 | BDBM81975 | Oprea1_032085 | Tox21_500716 | HCZHHEIFKROPDY-UHFFFAOYSA- | LP00716 | KYA | 4-Hydroxy-2-quinol...
  5. 2-Chloroadenosine, Agonist of A 1 receptor;Agonist of A 2A receptor;Agonist of A 2B receptor;Agonist of A 3 receptor
    Cas#: 146-77-0        Compound CID:  8974
    Formula:  C10H12ClN5O4        Molecular Weight: 301.69
    IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    SMILES: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N
    InChIKey: BIXYYZIIJIXVFW-UUOKFMHZSA-N
    InChI: InChI=1S/C10H12ClN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
    Synonyms: CADO | EINECS 205-678-3 | (2R,3R,4S,5R)-2-(6-Amino-2-chloro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol | B...
  6. Kynurenic acid, Agonist of GPR35
    Cas#: 492-27-3        Compound CID:  3845
    Formula:  C10H7NO3        Molecular Weight: 189.17
    IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
    SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
    InChIKey: HCZHHEIFKROPDY-UHFFFAOYSA-N
    InChI: InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
    Synonyms: kynurenic acid|4-Hydroxyquinoline-2-carboxylic acid|492-27-3|13593-94-7|4-oxo-1,4-dihydroquinoline-2-carboxylic acid|...
  7. Acetylcholine, Agonist of M 1 receptor;Agonist of M 2 receptor;Agonist of M 3 receptor;Agonist of M 4 receptor;Agonist of M 5 receptor
    Cas#: 51-84-3        Compound CID:  187
    Formula:  C7H16NO2+        Molecular Weight: 146.21
    IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium
    SMILES: CC(=O)OCC[N+](C)(C)C
    InChIKey: OIPILFWXSMYKGL-UHFFFAOYSA-N
    InChI: InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
    Synonyms: ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl | ethanaminium, 2-(acetyloxy)-N,N,N-trimethyl- | KBio1_000686 | C01996 | ...
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