ZSP
Summary
| Name: | 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one |
| Synonyms: | Sepiapterin (enol-form) |
| Formula: | C9 H11 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 237.215 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-6-[(Z)-1,2-bis(oxidanyl)prop-1-enyl]-7,8-dihydro-3H-pteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C=2N=C(C(\O)=C(\O)C)CNC=2N=C(N)N1 |
| InChI | InChI | 1.03 | InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h15-16H,2H2,1H3,(H4,10,11,13,14,17)/b6-3- |
| InChIKey | InChI | 1.03 | FYDGMRRMOMSOLR-UTCJRWHESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(/O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES | CACTVS | 3.385 | CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O |
