Metabolites

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  1. Melatonin, Antagonist of 5-HT 2B receptor;Agonist of MT 1 receptor;Agonist of MT 2 receptor
    Cas#: 73-31-4        Compound CID:  896
    Formula:  C13H16N2O2        Molecular Weight: 232.28
    IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
    SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
    InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N
    InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  2. 12(S)-HETE, Agonist of BLT 2 receptor;Agonist of GPR31
      Grade & Purity: 
    • Moligand™
    • ≥98%
    • 100μg/mL in ethanol
    Cas#: 54397-83-0        Compound CID:  5283155
    Formula:  C20H32O3        Molecular Weight: 320.47
    IUPAC Name: (5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid
    SMILES: CCCCCC=CCC(C=CC=CCC=CCCCC(=O)O)O
    InChIKey: ZNHVWPKMFKADKW-LQWMCKPYSA-N
    InChI: InChI=1S/C20H32O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17,19,21H,2-6,12,15-16,18H2,1H3,(H,22,23)/b9-7-,11-8-,13-10-,17-14+/t19-/m0/s1
    Synonyms: (E,Z,Z,Z)-12-hydroxy-5,8,10,14-Eicosatetraenoate | GTPL3404 | HMS3402A21 | 12(S)-Hydroxyeicosatetraenoic acid | 5,8,1...
  3. N-Arachidonylglycine (NAGly), Agonist of GPR18;Agonist of LPA 5 receptor
    Cas#: 179113-91-8        Compound CID:  5283389
    Formula:  C22H35NO3        Molecular Weight: 361.52
    IUPAC Name: 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
    SMILES: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O
    InChIKey: YLEARPUNMCCKMP-DOFZRALJSA-N
    InChI: InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
    Synonyms: LP00074 | NAGly | NA-Gly | HMS1989I06 | N-((5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraen-1-yl)glycine | N-arachidonoy...
  4. farnesyl diphosphate, Agonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor;Activator of TRPV3
    Cas#: 13058-04-3        Compound CID:  11132720
    IUPAC Name: phosphono [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] hydrogen phosphate
    SMILES: C/C(=C/COP(=O)(OP(=O)(O)O)O)/CC/C=C(\CCC=C(C)C)/C
    InChIKey: VWFJDQUYCIWHTN-FBXUGWQNSA-N
    InChI: InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9-,15-11-
  5. farnesyl monophosphate, Antagonist of LPA 2 receptor;Antagonist of LPA 3 receptor;Antagonist of LPA 4 receptor;Agonist of LPA 5 receptor
    IUPAC Name: [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate
    SMILES: C/C(=C/CC/C(=C\COP(=O)(O)O)/C)/CCC=C(C)C
    InChIKey: ALEWCKXBHSDCCT-FBXUGWQNSA-N
    InChI: InChI=1S/C15H27O4P/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-19-20(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H2,16,17,18)/b14-9-,15-11-
    Synonyms: SCHEMBL2506806 | FFT | [(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl] dihydrogen phosphate | GTPL2911 | Farnesyl mon...
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