Metabolites
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2',3'-cGAMP Sodium Salt, Agonist of stimulator of interferon response cGAMP interactor 1Cas#: 1441190-66-4 Compound CID: 135564529Formula: C20H22N10Na2O13P2 Molecular Weight: 674.41 (free acid basis)IUPAC Name: 2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-1H-purin-6-oneSMILES: C1C2C(C(C(O2)N3C=NC4=C3N=C(NC4=O)N)OP(=O)(OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O)OInChIKey: XRILCFTWUCUKJR-INFSMZHSSA-NInChI: InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1Synonyms: 2/'3/'-cGAMP | cyclic [G(2',5')pA(3',5')p] | UNII-552Y49K43E | J3.180.146J | 2',5'-3',5'-cGAMP | 2'-3'-cyclic GMP-AMP...
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12R-HETE, Agonist of BLT 1 receptorIUPAC Name: (5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acidSMILES: CCCCC/C=C\C[C@H](/C=C/C=C\C/C=C\CCCC(=O)O)OInChIKey: ZNHVWPKMFKADKW-ZYBDYUKJSA-NInChI: 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-/m1/s1Synonyms: 12(R)-HETE|12R-HETE|82337-46-0|FD492J7LCU|12-Hete, (R)-|12(R)-hydroxy-5(Z),8(Z),10(E),14(Z)-eicosatetraenoic acid|UNI...
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2'3'-cGAMP, Agonist of stimulator of interferon response cGAMP interactor 1SMILES: Nc1nc(=O)c2c([nH]1)n(cn2)[C@@H]1O[C@H]2[C@H]([C@H]1OP(=O)(O)OC[C@@H]1[C@@H](OP(=O)(OC2)O)[C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)OInChIKey: XRILCFTWUCUKJR-INFSMZHSSA-NInChI: InChI=1S/C20H24N10O13P2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(41-18)2-39-45(36,37)43-13-10(31)6(1-38-44(34,35)42-12)40-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,35)(H,36,37)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1Synonyms: 2/'3/'-cGAMP | cyclic [G(2',5')pA(3',5')p] | UNII-552Y49K43E | J3.180.146J | 2',5'-3',5'-cGAMP | 2'-3'-cyclic GMP-AMP...
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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
