Metabolites
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D-SerineCas#: 312-84-5 Compound CID: 71077Formula: C3H7NO3 Molecular Weight: 105.09IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-NInChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1Synonyms: (R)-Serine | D-(+)-Serine;d-serine;D-2-Amino-3-hydroxypropionic acid; (R)-2-Amino-3-hydroxypropionic acid | N-(Butyla...
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Melatonin, Antagonist of 5-HT 2B receptor;Agonist of MT 1 receptor;Agonist of MT 2 receptorCas#: 73-31-4 Compound CID: 896Formula: C13H16N2O2 Molecular Weight: 232.28IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideSMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OCInChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-NInChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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Pemetrexed, Inhibitor of dihydrofolate reductase;Inhibitor of phosphoribosylglycinamide formyltransferase; phosphoribosylglycinamide synthetase; phosphoribosylaminoimidazole synthetase;Inhibitor of thymidylate synthetaseCas#: 137281-23-3 Compound CID: 135410875Formula: C20H21N5O6 Molecular Weight: 427.41IUPAC Name: (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: WBXPDJSOTKVWSJ-ZDUSSCGKSA-NInChI: InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1Synonyms: GTPL5443 | N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid...
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D-Serine, Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2DCas#: 312-84-5 Compound CID: 71077Formula: C3H7NO3 Molecular Weight: 105.09IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-NInChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1Synonyms: D-Ser | (R)-Serine | D-(+)-Serine;d-serine;D-2-Amino-3-hydroxypropionic acid; (R)-2-Amino-3-hydroxypropionic acid | N...
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Pralatrexate, Dihydrofolate reductase inhibitorCas#: 146464-95-1 Compound CID: 148121Formula: C23H23N7O5 Molecular Weight: 477.47IUPAC Name: (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl]amino]pentanedioic acidSMILES: C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)OInChIKey: OGSBUKJUDHAQEA-WMCAAGNKSA-NInChI: InChI=1S/C23H23N7O5/c1-2-3-14(10-15-11-26-20-18(27-15)19(24)29-23(25)30-20)12-4-6-13(7-5-12)21(33)28-16(22(34)35)8-9-17(31)32/h1,4-7,11,14,16H,3,8-10H2,(H,28,33)(H,31,32)(H,34,35)(H4,24,25,26,29,30)/t14?,16-/m0/s1Synonyms: (2S)-2-({4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]phenyl}formamido)pentanedioic acid | CHEBI:39196 | (2S)-2-((4-...
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Glycine, sodium-coupled neutral amino acid transporter 4;Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2D;Agonist of GPRC6 receptorCas#: 56-40-6 Compound CID: 750Formula: NH2CH2COOH Molecular Weight: 75.07IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-NInChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)Synonyms: EINECS 200-272-2 | Aciport | Padil | [3H]glycine | GLYCINE (USP MONOGRAPH) | Glycine [USP:INN] | Tocris-0219 | GLYCIN...
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L(+)-Aspartic acidCas#: 56-84-8 Compound CID: 5960Formula: C4H7NO4 Molecular Weight: 133.10IUPAC Name: (2S)-2-aminobutanedioic acidSMILES: N[C@@H](CC(O)=O)C(O)=OInChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-NInChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1Synonyms: Acide aspartique | Asparaginsaeure | Aspartic acid [USAN:USP:INN] | Aspatofort | EINECS 200-291-6 | [3h]-l-asp | ASPA...
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L-Aspartic acidCas#: 56-84-8 Compound CID: 5960Formula: C4H7NO4 Molecular Weight: 133.10IUPAC Name: (2S)-2-aminobutanedioic acidSMILES: N[C@@H](CC(O)=O)C(O)=OInChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-NInChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1Synonyms: (S)-Aminosuccinic Acid | H-Asp-OH
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L-Aspartic acidCas#: 56-84-8 Compound CID: 5960Formula: C4H7NO4 Molecular Weight: 133.10IUPAC Name: (2S)-2-aminobutanedioic acidSMILES: N[C@@H](CC(O)=O)C(O)=OInChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-NInChI: InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1Synonyms: L-Asparaginic acid | (S)-Aminosuccinic Acid | L-aspartate | aspartic acid | H-Asp-OH
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Raltitrexed, Thymidylate synthase inhibitorCas#: 112887-68-0 Compound CID: 135400182Formula: C21H22N4O6S Molecular Weight: 458.49IUPAC Name: (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acidSMILES: CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-NInChI: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1Synonyms: N-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)carbonyl]-L-glutamic acid | RALTI...
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Aminoacetic acid, Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2D;Agonist of GPRC6 receptorCas#: 56-40-6 Compound CID: 750Formula: NH2CH2COOH Molecular Weight: 75.07IUPAC Name: 2-aminoacetic acidSMILES: C(C(=O)O)NInChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-NInChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)Synonyms: EINECS 200-272-2 | Aciport | Padil | [3H]glycine | GLYCINE (USP MONOGRAPH) | Glycine [USP:INN] | Tocris-0219 | GLYCIN...
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D-Serine, Agonist of GluN1;Agonist of GluN2A;Agonist of GluN2B;Agonist of GluN2C;Agonist of GluN2DCas#: 312-84-5 Compound CID: 71077Formula: C3H7NO3 Molecular Weight: 105.09IUPAC Name: (2R)-2-amino-3-hydroxypropanoic acidSMILES: C(C(C(=O)O)N)OInChIKey: MTCFGRXMJLQNBG-UWTATZPHSA-NInChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1Synonyms: D-serine|312-84-5|H-D-Ser-OH|(R)-2-amino-3-hydroxypropanoic acid|(R)-Serine|Serine D-form|(2R)-2-amino-3-hydroxypropa...
