| PDB CCD ID: | MEF |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C20 H23 N7 O6 |
| InChI: | InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13+/m1/s1 |
| InChIKey: | QYNUQALWYRSVHF-OLZOCXBDSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3CNC4=C(N3C2)C(=O)NC(=N4)N | | CACTVS 3.341 | NC1=NC2=C(N3CN(C[C@H]3CN2)c4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N1 | | OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)[N@]2C[C@H]3CNC4=C(N3C2)C(=O)NC(=N4)N | | CACTVS 3.341 | NC1=NC2=C(N3CN(C[CH]3CN2)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O)C(=O)N1 | | ACDLabs 10.04 | O=C(O)C(NC(=O)c1ccc(cc1)N4CC3N(C=2C(=O)NC(=NC=2NC3)N)C4)CCC(=O)O |
|
| Name: | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-L-glutamic acid;
5,10-methylene,5,6,7,8-tetrahydrofolate |
| ChEMBL: | CHEMBL1234270 |
| DrugBank: | DB12676 |
| ZINC: | ZINC000004228243 |
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