Metabolites

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  1. Carmofur
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas#: 61422-45-5        Compound CID:  2577
    Formula:  C11H16FN3O3        Molecular Weight: 257.27
    IUPAC Name: 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
    SMILES: CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F
    InChIKey: AOCCBINRVIKJHY-UHFFFAOYSA-N
    InChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
    Synonyms: AB00698319_06 | C75879 | HA82M3RAB2 | Spectrum2_000026 | BS-17210 | 1(2H)-Pyrimidinecarboxamide, 5-fluoro-N-hexyl-3,4...
  2. IP₃, Activator of IP 3R1;Activator of IP 3R2;Activator of IP 3R3
    Cas#: 85166-31-0        Compound CID:  439456
    IUPAC Name: {[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    SMILES: O[C@@H]1[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(=O)(O)O)O
    InChIKey: MMWCIQZXVOZEGG-XJTPDSDZSA-N
    InChI: InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
    Synonyms: inositol 1,4,5-trisphosphate|1,4,5-Insp3|d-myo-inositol-1,4,5-triphosphate|85166-31-0|InsP3|1D-myo-Inositol 1,4,5-tri...
  3. arachidonyl-2-chloroethylamide, Agonist of CB 1 receptor
    IUPAC Name: (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide
    SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCl
    InChIKey: SCJNCDSAIRBRIA-DOFZRALJSA-N
    InChI: InChI=1S/C22H36ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)24-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,24,25)/b7-6-,10-9-,13-12-,16-15-
    Synonyms: SR-01000946682 | GLXC-27067 | HMS3649N11 | AKOS024456526 | GTPL738 | (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid ...
  4. inositol 2,4,5-trisphosphate, Activator of IP 3R1;Activator of IP 3R2
    IUPAC Name: (1S,2R,3R,4R,5R,6S)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl phosphate
    SMILES: O[C@H]1[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])O
    InChIKey: MMWCIQZXVOZEGG-SHFUYGGZSA-H
    InChI: InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t1-,2-,3-,4-,5+,6+/m1/s1
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