HBI
Summary
| Name: | 7,8-DIHYDROBIOPTERIN |
| Formula: | C9 H13 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 239.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES | CACTVS | 3.341 | C[CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | FEMXZDUTFRTWPE-DZSWIPIPSA-N |
