Metabolites
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L-Thyroxine, Agonist of Thyroid hormone receptor-α;Agonist of Thyroid hormone receptor-βCas#: 51-48-9 Compound CID: 5819Formula: C15H11I4NO4 Molecular Weight: 776.87IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acidSMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)NInChIKey: XUIIKFGFIJCVMT-LBPRGKRZSA-NInChI: InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1Synonyms: T4 | DivK1c_006967 | L-Thyroxine, free acid | Spectrum_001076 | 2ceo | Eutirox | L Thyroxine | LEVOTHYROXINE (USP-RS)...
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D-erythro-sphingosine-1-phosphate, Agonist of GPR12;Agonist of GPR3;Agonist of GPR63;Agonist of GPR6;Agonist of P2RY10;Agonist of S1P 1 receptor;Agonist of S1P 2 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptorCas#: 26993-30-6 Compound CID: 5283560Formula: C18H38NO5P Molecular Weight: 379.472IUPAC Name: [(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphateSMILES: CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N)OInChIKey: DUYSYHSSBDVJSM-KRWOKUGFSA-NInChI: InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1Synonyms: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate | 4-Octadecene-1,3-diol, 2-amino-, 1-(dihydrogen p...
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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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3,3',5-Triiodo-L-thyronine, Thyroid hormone receptor agonistCas#: 6893-02-3 Compound CID: 5920Formula: C15H12I3NO4 Molecular Weight: 650.98IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acidSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)OInChIKey: AUYYCJSJGJYCDS-LBPRGKRZSA-NInChI: InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1Synonyms: liothyronine|triiodothyronine|3,3',5-Triiodo-L-thyronine|6893-02-3|Tresitope|Liothyronin|3,5,3'-triiodothyronine|trio...
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3,3′,5-Triiodothyroacetic acid, Agonist of Thyroid hormone receptor-α;Agonist of Thyroid hormone receptor-βCas#: 51-24-1 Compound CID: 5803Formula: C14H9I3O4 Molecular Weight: 621.93IUPAC Name: 2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acidSMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)OInChIKey: UOWZUVNAGUAEQC-UHFFFAOYSA-NInChI: InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)Synonyms: Tiratricol|51-24-1|3,3',5-TRIIODOTHYROACETIC ACID|Triac|Triiodothyroacetic acid|Tiratricol [INN]|2-[4-(4-hydroxy-3-io...
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5,8,11,14-Eicosatetraynoic acid, Agonist of Peroxisome proliferator-activated receptor-αCas#: 1191-85-1 Compound CID: 1780Formula: C20H24O2 Molecular Weight: 296.5IUPAC Name: icosa-5,8,11,14-tetraynoic acidSMILES: CCCCCC#CCC#CCC#CCC#CCCCC(=O)OInChIKey: MGLDCXPLYOWQRP-UHFFFAOYSA-NInChI: InChI=1S/C20H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-5,8,11,14,17-19H2,1H3,(H,21,22)Synonyms: Bio1_000150 | HMS3402I11 | Eicosatetraynoic acid | HMS1989I11 | HMS1361I11 | NCGC00021784-05 | MLS000069514 | NCGC000...
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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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L-O-Phosphoserine, Agonist of mGlu 4 receptor;Agonist of mGlu 6 receptor;Agonist of mGlu 7 receptor;Agonist of mGlu 8 receptorCas#: 407-41-0 Compound CID: 68841Formula: C3H8NO6P Molecular Weight: 185.07IUPAC Name: (2S)-2-amino-3-phosphonooxypropanoic acidSMILES: C(C(C(=O)O)N)OP(=O)(O)OInChIKey: BZQFBWGGLXLEPQ-REOHCLBHSA-NInChI: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1Synonyms: O-phospho-L-serine|Dexfosfoserine|407-41-0|phosphoserine|L-O-Phosphoserine|Fosforina|L-SOP|O-Phosphoserine|L-Phosphos...
