Metabolites

Shop By
View as List Grid

5 Items

Set Descending Direction
  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. 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...
  3. 7β-Hydroxycholesterol, Agonist of GPR183
    Cas#: 566-27-8        Compound CID:  473141
    Formula:  C27H46O2        Molecular Weight: 402.653
    IUPAC Name: (3S,7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C
    InChIKey: OYXZMSRRJOYLLO-KGZHIOMZSA-N
    InChI: InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24+,25+,26+,27-/m1/s1
    Synonyms: .DELTA.5-CHOLESTENE-3.BETA.,7.BETA.-DIOL | 7-HYDROXYCHOLESTEROL, (7.BETA.)- | UNII-N9616291J4 | LMST01010047 | CHOLES...
  4. cholest-5-en-3β,7α-diol, Agonist of GPR183
    Cas#: 566-26-7        Compound CID:  107722
    Formula:  C27H46O2        Molecular Weight: 402.653
    IUPAC Name: (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
    SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)O)C)O)C
    InChIKey: OYXZMSRRJOYLLO-RVOWOUOISA-N
    InChI: InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1
    Synonyms: PD046603 | (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-d...
  5. cholesterol sulphate, Agonist of RAR-related orphan receptor-α
    Cas#: 1256-86-6        Compound CID:  65076
    Formula:  C27H46O4S        Molecular Weight: 466.72
    IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
    SMILES: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)OS(=O)(=O)O)C)C
    InChIKey: BHYOQNUELFTYRT-DPAQBDIFSA-N
    InChI: InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
    Synonyms: Cholesterol hydrogen sulfate | Cholest-5-en-3beta-ol sulfate | Cholesterol 3-sulfate | CHOLESTEROL-SULFATE | choleste...
per page

We noticed your location and want to make sure you’re viewing the most relevant version of our site.
Would you like to be redirected to your local region’s page for a smoother experience?