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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(±)-2-Hydroxyoctanoic acid, Agonist of HCA 3 receptorCas#: 617-73-2 Compound CID: 94180Formula: CH3(CH2)5CH(OH)COOH Molecular Weight: 160.21IUPAC Name: 2-hydroxyoctanoic acidSMILES: CCCCCCC(C(=O)O)OInChIKey: JKRDADVRIYVCCY-UHFFFAOYSA-NInChI: InChI=1S/C8H16O3/c1-2-3-4-5-6-7(9)8(10)11/h7,9H,2-6H2,1H3,(H,10,11)Synonyms: 2-Hydroxyoctanoic acid|617-73-2|2-Hydroxycaprylic acid|2-Hydroxy-n-octanoic Acid|hydroxycaprylic acid|(+/-)-2-Hydroxy...
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D-Phenylalanine, Agonist of HCA 3 receptorCas#: 673-06-3 Compound CID: 71567Formula: C9H11NO2 Molecular Weight: 165.19IUPAC Name: (2R)-2-amino-3-phenylpropanoic acidSMILES: C1=CC=C(C=C1)CC(C(=O)O)NInChIKey: COLNVLDHVKWLRT-MRVPVSSYSA-NInChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1Synonyms: D-phenylalanine|673-06-3|H-D-Phe-OH|(2R)-2-amino-3-phenylpropanoic acid|Phenylalanine D-form|Sabiden|D-Phe|(R)-2-AMIN...
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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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Nicotinic acid, Agonist of HCA 1 receptor;Agonist of HCA 2 receptor;Agonist of HCA 3 receptorCas#: 59-67-6 Compound CID: 938Formula: C6H5NO2 Molecular Weight: 123.11IUPAC Name: pyridine-3-carboxylic acidSMILES: C1=CC(=CN=C1)C(=O)OInChIKey: PVNIIMVLHYAWGP-UHFFFAOYSA-NInChI: InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)Synonyms: AI3-18994 | Akotin | Nicagin | Nicotinsaure | Nicovasen | NSC 169454 | SR-01000722017 | BRN 0109591 | Vitaplex N | m-...
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3-hydroxyoctanoic acid, Agonist of HCA 3 receptorCas#: 33796-86-0 Compound CID: 11367166Formula: C8H16O3 Molecular Weight: 160.21IUPAC Name: (3S)-3-hydroxyoctanoic acidSMILES: CCCCCC(CC(=O)O)OInChIKey: NDPLAKGOSZHTPH-ZETCQYMHSA-NInChI: InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)/t7-/m0/s1Synonyms: 3-OH-octanoic acid | LMFA01050433 | (S)-3-hydroxyoctanoic acid | 3-Hydroxycaprylate | (S)-beta-hydroxycaprylic acid |...
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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...
