| PDB CCD ID: | 03O |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C15 H18 N6 O3 |
| InChI: | InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1 |
| InChIKey: | OCWWMSJBVHBZEF-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.2 | CN1C(CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O | | CACTVS 3.370 | CN1[C@@H](CNc2ccc(cc2)C(O)=O)CNC3=C1C(=O)NC(=N3)N | | CACTVS 3.370 | CN1[CH](CNc2ccc(cc2)C(O)=O)CNC3=C1C(=O)NC(=N3)N | | OpenEye OEToolkits 1.7.2 | CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNc3ccc(cc3)C(=O)O | | ACDLabs 12.01 | O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C |
|
| Name: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid;
5-methyl tetrahydropteroic acid |
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