Metabolites

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  1. D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor
    Cas#: 26993-30-6        Compound CID:  5283560
    Formula:  C18H38NO5P        Molecular Weight: 379.472
    IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
    SMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)O
    InChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-N
    InChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
    Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
  2. (±)-2-Hydroxyoctanoic acid, Agonist of HCA 3 receptor
      Grade & Purity: 
    • 10mM in DMSO
    Cas#: 617-73-2        Compound CID:  94180
    Formula:  CH3(CH2)5CH(OH)COOH        Molecular Weight: 160.21
    IUPAC Name: 2-hydroxyoctanoic acid
    SMILES: CCCCCCC(C(=O)O)O
    InChIKey: JKRDADVRIYVCCY-UHFFFAOYSA-N
    InChI: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)
    Synonyms: 2-Hydroxyoctanoic acid|617-73-2|2-Hydroxycaprylic acid|2-Hydroxy-n-octanoic Acid|hydroxycaprylic acid|(+/-)-2-Hydroxy...
  3. D-Phenylalanine, Agonist of HCA 3 receptor
    Cas#: 673-06-3        Compound CID:  71567
    Formula:  C9H11NO2        Molecular Weight: 165.19
    IUPAC Name: (2R)-2-amino-3-phenylpropanoic acid
    SMILES: C1=CC=C(C=C1)CC(C(=O)O)N
    InChIKey: COLNVLDHVKWLRT-MRVPVSSYSA-N
    InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
    Synonyms: D-phenylalanine|673-06-3|H-D-Phe-OH|(2R)-2-amino-3-phenylpropanoic acid|Phenylalanine D-form|Sabiden|D-Phe|(R)-2-AMIN...
  4. Nicotinic acid, Agonist of HCA 1 receptor;Agonist of HCA 2 receptor;Agonist of HCA 3 receptor
    Cas#: 59-67-6        Compound CID:  938
    Formula:  C6H5NO2        Molecular Weight: 123.11
    IUPAC Name: pyridine-3-carboxylic acid
    SMILES: C1=CC(=CN=C1)C(=O)O
    InChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-N
    InChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
    Synonyms: AI3-18994 | Akotin | Nicagin | Nicotinsaure | Nicovasen | NSC 169454 | SR-01000722017 | BRN 0109591 | Vitaplex N | m-...
  5. 3-hydroxyoctanoic acid, Agonist of HCA 3 receptor
    Cas#: 33796-86-0        Compound CID:  11367166
    Formula:  C8H16O3        Molecular Weight: 160.21
    IUPAC Name: (3S)-3-hydroxyoctanoic acid
    SMILES: CCCCCC(CC(=O)O)O
    InChIKey: NDPLAKGOSZHTPH-ZETCQYMHSA-N
    InChI: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1
    Synonyms: 3-OH-octanoic acid | LMFA01050433 | (S)-3-hydroxyoctanoic acid | 3-Hydroxycaprylate | (S)-beta-hydroxycaprylic acid |...
  6. dioleoylphosphatidic acid, Agonist of GPR63
    Cas#: 14268-17-8        Compound CID:  9547172
    IUPAC Name: [1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-octadec-9-enoate
    SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
    InChIKey: MHUWZNTUIIFHAS-CLFAGFIQSA-N
    InChI: InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-
    Synonyms: Epitope ID:136905 | PA 18:1_18:1 | Dioleoylphosphatidic acid | [2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] (Z)-...
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