Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LM38ZF
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| Ligand Name |
N-(4-{[(2,4-Diaminopteridin-1-Ium-6-Yl)methyl](Methyl)amino}benzoyl)-L-Glutamic Acid
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| Synonyms |
N-(4-{[(2,4-Diaminopteridin-1-Ium-6-Yl)methyl](Methyl)amino}benzoyl)-L-Glutamic Acid; METHOTREXATE PROTONATED AT N1; Q27463553
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| Structure |
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Download2D MOL |
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| Formula |
C20H23N8O5+
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| Canonical SMILES |
CN(CC1=C[NH+]=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
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| InChI |
1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/p+1/t13-/m0/s1
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| InChIKey |
FBOZXECLQNJBKD-ZDUSSCGKSA-O
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| PubChem Compound ID | ||||
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