Metabolites
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Gallic acid, Inhibitor of carbonic anhydrase 1Cas#: 149-91-7 Compound CID: 370Formula: C7H6O5 Molecular Weight: 170.12IUPAC Name: 3,4,5-trihydroxybenzoic acidSMILES: C1=C(C=C(C(=C1O)O)O)C(=O)OInChIKey: LNTHITQWFMADLM-UHFFFAOYSA-NInChI: InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)Synonyms: NSC 674319 | gallate | HSDB 2117 | CCRIS 5523 | Gallic acid, tech. | Kyselina gallova | MFCD00002510 | CHEBI:30778 | ...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: DTXCID30659 | glt | 1ii5 | Glutamate, L- | Glutamic acid, (S)- | Glutaton | glutamate | L-Glutaminic acid | Gamma-L-G...
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L(+)-Glutamic acidCas#: 56-86-0 Compound CID: 33032Formula: C5H9NO4 Molecular Weight: 147.13IUPAC Name: (2S)-2-aminopentanedioic acidSMILES: C(CC(=O)O)C(C(=O)O)NInChIKey: WHUUTDBJXJRKMK-VKHMYHEASA-NInChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1Synonyms: L-glutamic acid|GLUTAMIC ACID|56-86-0|L-glutamate|(2S)-2-Aminopentanedioic acid|(S)-2-Aminopentanedioic acid|Glutamid...
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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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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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inositol 2,4,5-trisphosphate, Activator of IP 3R1;Activator of IP 3R2IUPAC Name: (1S,2R,3R,4R,5R,6S)-2,3,5-trihydroxy-4,6-bis(phosphonatooxy)cyclohexyl 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-])OInChIKey: MMWCIQZXVOZEGG-SHFUYGGZSA-HInChI: 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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phosphatidyl (3,5) inositol bisphosphate, Activator of TPC1;Activator of TPC2;Activator of TRPML1;Activator of TRPML2;Activator of TRPML3Cas#: 214282-36-7 Compound CID: 643961Formula:IUPAC Name: [(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,4,6-trihydroxy-3,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoateSMILES: CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)(OC1[C@H](O)[C@H](OP(=O)(O)O)C([C@@H]([C@H]1O)OP(=O)(O)O)O)OInChIKey: UZMPYXSDDZXMAI-OHKKONBVSA-NInChI: InChI=1S/C41H81O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h33,36-41,44-46H,3-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/t33-,36?,37-,38-,39-,40+,41?/m1/s1Synonyms: CHEBI:82954 | 3,5-bis(dihydrogen phosphate) (9CI) | 1,2-diyl dihexadecanoate | DTXSID90349238 | phosphatidyl (3,5) in...