Metabolites

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12 Items

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  1. Dinoprostone, Activator of CatSper1;Activator of CatSper2;Activator of CatSper3;Activator of CatSper4;Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP rec
    Cas#: 363-24-6        Compound CID:  5280360
    Formula:  C20H32O5        Molecular Weight: 352.47
    IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
    InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N
    InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
    Synonyms: PGE2 | (E,2R,3R)-7-[3-hydroxy-2-[(3S)-(3-hydroxy-1-octenyl)]-5-oxocyclopentyl]-5-heptenoic acid | l-Prostaglandin E2 ...
  2. Prostaglandin D2, Agonist of DP 1 receptor;Agonist of DP 2 receptor;Agonist of EP 1 receptor;Agonist of EP 2 receptor;Agonist of EP 3 receptor;Agonist of EP 4 receptor;Agonist of FP receptor
    Cas#: 41598-07-6        Compound CID:  448457
    Formula:  C20H32O5        Molecular Weight: 352.47
    IUPAC Name: (Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O
    InChIKey: BHMBVRSPMRCCGG-OUTUXVNYSA-N
    InChI: InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m0/s1
    Synonyms: PGD2 | Prosta-5,13-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-alpha,13E,15S)- | (5Z,13E)-(15S)-9,15-dihydroxy-11-...
  3. Prostaglandin E1, Prostanoid EP2 receptor agonist
    Cas#: 745-65-3        Compound CID:  5280723
    Formula:  C20H34O5        Molecular Weight: 354.48
    IUPAC Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
    SMILES: CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
    InChIKey: GMVPRGQOIOIIMI-DWKJAMRDSA-N
    InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19+/m0/s1
    Synonyms: (-)-Prostaglandin E1 | Prostaglandin E1alpha | AI3-62116 | Prostandin | Prostivas | U 10136 | ALPROSTADIL [VANDF] | H...
  4. Prostaglandin J2, Agonist of DP 1 receptor;Agonist of DP 2 receptor
      Grade & Purity: 
    • Moligand™
    • ≥95%
    • 5 mg/mL in methyl acetate
    Cas#: 60203-57-8        Compound CID:  5280884
    Formula:  C20H30O4        Molecular Weight: 334.45
    IUPAC Name: (Z)-7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
    SMILES: CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)O
    InChIKey: UQOQENZZLBSFKO-POPPZSFYSA-N
    InChI: InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1
    Synonyms: BDBM50594729 | C05957 | BML1-G07 | PGJ2 (Prostaglandin J2) | Prostaglandin J2 Lipid Maps(R) MS Standard | SR-05000002...
  5. Adenosine 3′,5′-cyclic monophosphate, Activator of CNGA2;Activator of CNGA3;Activator of HCN1;Activator of HCN2;Activator of protein kinase A
    Cas#: 60-92-4        Compound CID:  6076
    Formula:  C10H12N5O6P        Molecular Weight: 329.21
    IUPAC Name: (4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
    SMILES: C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
    InChIKey: IVOMOUWHDPKRLL-KQYNXXCUSA-N
    InChI: InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
    Synonyms: cAMP | bmse000071 | cAMP | Cyclic Monophosphate, Adenosine | 3',5'-cyclic AMP | Adenosine 3',5'-cyclic phosphate | AD...
  6. 5-OxoETE, Agonist of OXE receptor
      Grade & Purity: 
    • Moligand™
    • ≥95%
    • 100μg/ml in ethanol
    Cas#: 106154-18-1        Compound CID:  5283159
    Formula:  C20H30O3        Molecular Weight: 318.45
    IUPAC Name: (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CCC=CC=CC(=O)CCCC(=O)O
    InChIKey: MEASLHGILYBXFO-XTDASVJISA-N
    InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+
    Synonyms: HMS1361I15 | SR-01000946916 | 5-oxo-6,8,11,14-eicosatetraenoate | CHEBI:52449 | 5-Keto-6,8,11,14-eicosatetraenoic aci...
  7. 5(S)-HPETE, Agonist of OXE receptor;Activator of TRPV1
    Cas#: 71774-08-8        Compound CID:  5280778
    Formula:  C20H32O4        Molecular Weight: 336.47
    IUPAC Name: (5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
    SMILES: CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OO
    InChIKey: JNUUNUQHXIOFDA-JGKLHWIESA-N
    InChI: InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
    Synonyms: 5(S)-hydroxyperoxy-6E,8Z,11Z,14Z-icosatetraenoic acid | 5(S)-HPETE | IDI1_033915 | (5S,6E,8Z,11Z,14Z)-5-hydroperoxyic...
  8. 5-oxo-ODE, Agonist of OXE receptor
    Cas#: 1021188-25-9        Compound CID:  71751402
    Formula:  C18H30O3        Molecular Weight: 294.43
    IUPAC Name: (6E,8Z)-5-oxooctadeca-6,8-dienoic acid
    SMILES: CCCCCCCCCC=CC=CC(=O)CCCC(=O)O
    InChIKey: YVWMHFYOIJMUMN-HSINTONASA-N
    InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+
    Synonyms: (6E,8Z)-5-oxooctadecadienoic acid | 5-oxo-ODE | (6E,8Z)-5-Oxo-6,8-octadecadienoic Acid | GTPL6164 | 1021188-25-9 | (6...
  9. 5-oxo-C20:3, Agonist of OXE receptor
    IUPAC Name: (6Z,8Z,11Z)-5-oxoicosa-6,8,11-trienoic acid
    SMILES: CCCCCCCC/C=C\C/C=C\C=C/C(=O)CCCC(=O)O
    InChIKey: ULMVEQWNDGUUBR-IEQFDQMRSA-N
    InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14-
  10. 5-oxo-20-HETE, Agonist of OXE receptor
    IUPAC Name: (6E,8Z,11Z,14Z)-20-hydroxy-5-oxoicosa-6,8,11,14-tetraenoic acid
    SMILES: OCCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O
    InChIKey: DTSRZRUIWKDHMR-DHYYJNSCSA-N
    InChI: InChI=1S/C20H30O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,21H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/b4-2-,5-3-,10-8-,15-12+
  11. 5-oxo-12-HETE, Antagonist of OXE receptor
    IUPAC Name: (6E,8Z,10E,12S,14Z)-12-hydroxy-5-oxoicosa-6,8,10,14-tetraenoic acid
    SMILES: CCCCC/C=C\C[C@@H](/C=C/C=C\C=C\C(=O)CCCC(=O)O)O
    InChIKey: MLZJFLKEKVDNAZ-XPKTZJOPSA-N
    InChI: InChI=1S/C20H30O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18,21H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7-,9-6-,14-10+,15-11+/t18-/m0/s1
  12. 5-oxo-15-HETE, Agonist of OXE receptor
    Cas#: 142828-12-4        Compound CID:  6438757
    IUPAC Name: (6E,8Z,11Z,13E,15S)-15-hydroxy-5-oxoicosa-6,8,11,13-tetraenoic acid
    SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O)O
    InChIKey: RIUDRKHGFDAKPO-WWWYWCMOSA-N
    InChI: InChI=1S/C20H30O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18,21H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-/m0/s1
    Synonyms: BDBM50338299 | (6E,8Z,11Z,13E,15S)-15-Hydroxy-5-oxo-6,8,11,13-eicosatetraenoic acid | GTPL6167 | 15-hydroxy-5-oxo-eic...
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