Metabolites
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D-erythro-sphingosine, Activator of TRPM3;Channel blocker of TRPM7Cas#: 123-78-4 Compound CID: 5280335Formula: C18H37NO2 Molecular Weight: 299.492IUPAC Name: (E,2S,3R)-2-aminooctadec-4-ene-1,3-diolSMILES: CCCCCCCCCCCCCC=CC(C(CO)N)OInChIKey: WWUZIQQURGPMPG-KRWOKUGFSA-NInChI: InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14+/t17-,18+/m0/s1Synonyms: DL-ERYTHRO-SPHINGOSINE [MI] | dl-Erythro-sphingosine | trans-4-Sphingenine | (2S,3R)-Sphingosine | 4-Octadecene-1,3-d...
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Spermine, Agonist of CaS receptor;Channel blocker of K ir2.1;Channel blocker of K ir2.3;Agonist of Retinoic acid receptor-α;Agonist of Retinoic acid receptor-β;Agonist of Retinoic acid receptor-γ;Channel blocker of TRPM4;Channel blocker of TRPM5;Channel blocker ofCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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SpermineCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: AS-35114 | n1,n1'-(butane-1,4-diyl)dipropane-1,3-diamine | 2FZ7Y3VOQX | BPBio1_001086 | SMR001397086 | 1,4-Bis(aminop...
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SpermineCas#: 71-44-3 Compound CID: 1103Formula: C10H26N4 Molecular Weight: 202.34IUPAC Name: N,N'-bis(3-aminopropyl)butane-1,4-diamineSMILES: C(CCNCCCN)CNCCCNInChIKey: PFNFFQXMRSDOHW-UHFFFAOYSA-NInChI: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2Synonyms: spermine|71-44-3|musculamine|neuridine|gerontine|Spermin|4,9-Diaza-1,12-dodecanediamine|N,N'-Bis(3-aminopropyl)-1,4-b...
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Adenosine triphosphate, Agonist of GPR17;Activator of IP 3R1;Activator of K ir6.1;Gating inhibitor of K ir6.1;Gating inhibitor of K ir6.2;Gating inhibitor of K Na1.2;Agonist of P2X1;Agonist of P2X2;Agonist of P2X3;Agonist of P2X4;Agonist of P2X5;Agonist of P2X6;Agonist of P2X7;ACas#: 56-65-5 Compound CID: 5957Formula: C10H16N5O13P3 Molecular Weight: 507.18IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NInChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-NInChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Synonyms: Adetol | BDBM50366480 | Triphosadenine (DCF) | Triphosphoric acid adenosine ester | 9-beta-D-Arabinofuranosyladenine ...
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Adenosine triphosphateCas#: 56-65-5 Compound CID: 5957Formula: C10H16N5O13P3 Molecular Weight: 507.18IUPAC Name: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphateSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NInChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-NInChI: InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Synonyms: Adetol | BDBM50366480 | Triphosadenine (DCF) | Triphosphoric acid adenosine ester | 9-beta-D-Arabinofuranosyladenine ...
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Ap₄A, Antagonist of P2Y 12 receptor;Antagonist of P2Y 13 receptor;Agonist of P2Y 2 receptor;Agonist of P2Y 4 receptorCas#: 5542-28-9 Compound CID: 25243905IUPAC Name: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphinato]oxy}phosphinato)oxy]phosphonateSMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2NInChIKey: YOAHKNVSNCMZGQ-XPWFQUROSA-JInChI: InChI=1S/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,21,23,25)(H2,22,24,26)/p-4/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1Synonyms: 5',5'''-diadenosine tetraphosphate;adenosyl-P4;Ap4A;diadenosine tetraphosphate
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ITP, Agonist of P2Y 4 receptorCas#: 132-06-9 Compound CID: 135398643IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphateSMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]cnc2=OInChIKey: HAEJPQIATWHALX-KQYNXXCUSA-NInChI: InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1Synonyms: inosine triphosphate|Inosine 5'-triphosphate|132-06-9|Inosine 5'-(tetrahydrogen triphosphate)|ITP|Inosine 5-triphopsh...
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Ins(3,4,5,6)P₄, Channel blocker of CaCCCas#: 112791-61-4 Compound CID: 121920IUPAC Name: [(1R,2S,3S,4R,5S,6R)-3,4-dihydroxy-2,5,6-triphosphonooxycyclohexyl] dihydrogen phosphateSMILES: 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)OP(=O)(O)OInChIKey: MRVYFOANPDTYBY-UZAAGFTCSA-NInChI: InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1Synonyms: DTXSID80920893 | (1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] | inos...
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IP₃, Activator of IP 3R1;Activator of IP 3R2;Activator of IP 3R3Cas#: 85166-31-0 Compound CID: 439456IUPAC Name: {[(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-bis(phosphonooxy)cyclohexyl]oxy}phosphonic acidSMILES: 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)OInChIKey: MMWCIQZXVOZEGG-XJTPDSDZSA-NInChI: 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/s1Synonyms: 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...
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PIP₂, Activator of HCN2;Antagonist of IP 3R1;Activator of K ir2.1;Activator of K ir3.1;Activator of K ir3.2;Activator of K ir3.3;Activator of K ir3.4;Activator of K v7.2;Activator of K v7.4;Activator of PLD2;Activator of TRPM2;Activator of TRPM4;Activator of TRIUPAC Name: [(2R)-3-[hydroxy-[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoateSMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OInChIKey: IGQSAMXNWMLOOS-GGDMTQDZSA-NInChI: InChI=1S/C45H85O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h17-20,37,40-45,48-50H,3-16,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b19-17-,20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1Synonyms: phosphatidylinositol-4,5-bisphosphate;PIP2
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octanol, Inhibitor of Cx23;Inhibitor of Cx25;Inhibitor of Cx26;Inhibitor of Cx30;Inhibitor of Cx30.2;Inhibitor of Cx30.3;Inhibitor of Cx31;Inhibitor of Cx31.1;Inhibitor of Cx31.9;Inhibitor of Cx32;Inhibitor of Cx36;Inhibitor of Cx37;Inhibitor of Cx40;Inhibitor ofCas#: 29063-28-3 Compound CID: 957IUPAC Name: octan-1-olSMILES: CCCCCCCCOInChIKey: KBPLFHHGFOOTCA-UHFFFAOYSA-NInChI: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3Synonyms: AI3-02169 | O0212 | OCTYL ALCOHOL [FCC] | Alcohol C8 | Alcohol C-8 | CS-0076037 | Dytol M-83 | Heptyl carbinol | 1-OC...
