NEU
Summary
| Name: | L-NEOPTERIN |
| Synonyms: | 2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE |
| Formula: | C9 H11 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 253.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO |
| SMILES | CACTVS | 3.341 | NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | BMQYVXCPAOLZOK-XINAWCOVSA-N |
