52L
Summary
| Name: | DAHP Oxime |
| Synonyms: | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid |
| Formula: | C7 H14 N O10 P |
| Formal charge: | 0 |
| Formula weight: | 303.161 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid |
| OpenEye OEToolkits | 1.9.2 | (2E,4R,5S,6R)-2-hydroxyimino-4,5,6-tris(oxidanyl)-7-phosphonooxy-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(/O)=C(\C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H14NO10P/c9-4(1-3(8-14)7(12)13)6(11)5(10)2-18-19(15,16)17/h4-6,9-11,14H,1-2H2,(H,12,13)(H2,15,16,17)/b8-3+/t4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | KFGHSGKOOHKNEU-WVMCLEPLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O/N=C(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)/C(O)=O |
| SMILES | CACTVS | 3.385 | ON=C(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)/C(=N\O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C(C(C(C(COP(=O)(O)O)O)O)O)C(=NO)C(=O)O |
