RLP
Summary
Name: | 3-(7-HYDROXY-8-RIBITYLLUMAZINE-6-YL) PROPIONIC ACID |
Formula: | C14 H18 N4 O9 |
Formal charge: | 0 |
Formula weight: | 386.314 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 1-[6-(2-carboxyethyl)-7-hydroxy-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-1-deoxy-D-ribitol |
OpenEye OEToolkits | 1.5.0 | 3-[7-hydroxy-2,4-dioxo-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridin-6-yl]propanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CCC=2N=C1C(=NC(=O)NC1=O)N(C=2O)CC(O)C(O)C(O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O |
SMILES | CACTVS | 3.341 | OC[CH](O)[CH](O)[CH](O)CN1C(=C(CCC(O)=O)N=C2C(=O)NC(=O)N=C12)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)C[C@@H]([C@@H]([C@@H](CO)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C1=C(N(C2=NC(=O)NC(=O)C2=N1)CC(C(C(CO)O)O)O)O |
InChI | InChI | 1.03 | 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/h6-7,10,19-21,24,26H,1-4H2,(H,22,23)(H,17,25,27)/t6-,7+,10-/m0/s1 |
InChIKey | InChI | 1.03 | ZUXCIPRCLKZSHS-PJKMHFRUSA-N |