| PDB CCD ID: | CRM |
| Number of entries in BioLiP: | 22 |
| Chemical formula: | C14 H18 N4 O9 |
| InChI: | InChI=1S/C14H18N4O9/c19-4-7(21)10(24)6(20)3-18-11-9(12(25)17-14(27)16-11)15-5(13(18)26)1-2-8(22)23/h6-7,10,19-21,24H,1-4H2,(H,22,23)(H2,16,17,25,27)/t6-,7+,10-/m0/s1 |
| InChIKey: | PTYCEIBBGGLADD-PJKMHFRUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | OC[CH](O)[CH](O)[CH](O)CN1C(=O)C(=NC2=C1NC(=O)NC2=O)CCC(O)=O | | OpenEye OEToolkits 1.5.0 | C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)CC(C(C(CO)O)O)O | | OpenEye OEToolkits 1.5.0 | C(CC(=O)O)C1=NC2=C(NC(=O)NC2=O)N(C1=O)C[C@@H]([C@@H]([C@@H](CO)O)O)O | | CACTVS 3.341 | OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)C(=NC2=C1NC(=O)NC2=O)CCC(O)=O | | ACDLabs 10.04 | O=C1NC(=O)NC=2N(C(=O)C(=NC1=2)CCC(=O)O)CC(O)C(O)C(O)CO |
|
| Name: | 3-[8-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)-2,4,7-TRIOXO-1,3,8-TRIHYDROPTERIDIN-6-YL]PROPANOIC ACID;
CARBOXYETHYLLUMAZINE |
| DrugBank: | DB03883 |
| ZINC: | ZINC000012504250 |
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