CAP
Summary
| Name: | 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE |
| Formula: | C6 H14 O13 P2 |
| Formal charge: | 0 |
| Formula weight: | 356.115 Da |
| Component type: | SACCHARIDE |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-O-phosphono-2-C-[(phosphonooxy)methyl]-D-ribonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,3R,4R)-2,3,4-trihydroxy-5-phosphonooxy-2-(phosphonooxymethyl)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(O)(O)OCC(O)C(O)C(O)(C(=O)O)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@](O)(CO[P](O)(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | O[CH](CO[P](O)(O)=O)[CH](O)[C](O)(CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@H]([C@H]([C@](COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(C(C(COP(=O)(O)O)(C(=O)O)O)O)O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3-4,7-8,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)/t3-,4-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | ITHCSGCUQDMYAI-ZMIZWQJLSA-N |
