Metabolites
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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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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-Alanine, sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4Cas#: 56-41-7 Compound CID: 5950Formula: C3H7NO2 Molecular Weight: 89.09IUPAC Name: (2S)-2-aminopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1Synonyms: 14C-L-Alanine | EC 200-273-8 | HSDB 1801 | NSC-206315 | Alanine (VAN) | ALA-OH | L-Alanine, labeled with tritium | L-...
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4-(2-Aminoethyl)benzene-1,2-diol, Agonist of D 1 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of D 4 receptor;Agonist of D 5 receptorCas#: 51-61-6 Compound CID: 681Formula: C8H11NO2 Molecular Weight: 153.18IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diolSMILES: C1=CC(=C(C=C1CCN)O)OInChIKey: VYFYYTLLBUKUHU-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2Synonyms: dopamine | 3-Hydroxytyramine | Oxytyramine
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L-Alanine, sodium-coupled neutral amino acid transporter 1;sodium-coupled neutral amino acid transporter 2;sodium-coupled neutral amino acid transporter 4Cas#: 56-41-7 Compound CID: 5950Formula: C3H7NO2 Molecular Weight: 89.09IUPAC Name: (2S)-2-aminopropanoic acidSMILES: CC(C(=O)O)NInChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-NInChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1Synonyms: (S)-2-Aminopropionic acid | L-α-Aminopropionic acid
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guanosine 5'-diphosphate, Activator of K ir6.1Cas#: 146-91-8 Compound CID: 135398619IUPAC Name: [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphateSMILES: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)NInChIKey: QGWNDRXFNXRZMB-UUOKFMHZSA-NInChI: InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1Synonyms: 1fzq | guanosine-diphosphate | A808566 | Guanosine 5'-(trihydrogen diphosphate-P-32P) (9CI) | ((2R,3S,4R,5R)-5-(2-Ami...
