| PDB CCD ID: | 52L |
| Number of entries in BioLiP: | 7 |
| Chemical formula: | C7 H14 N O10 P |
| InChI: | 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: | KFGHSGKOOHKNEU-WVMCLEPLSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | C(C(C(C(COP(=O)(O)O)O)O)O)C(=NO)C(=O)O | | CACTVS 3.385 | ON=C(C[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)C(O)=O | | ACDLabs 12.01 | N(/O)=C(\C(O)=O)CC(C(O)C(COP(O)(O)=O)O)O | | CACTVS 3.385 | O/N=C(C[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O)/C(O)=O | | 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 |
|
| Name: | DAHP Oxime;
(2E,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxyimino)-7-(phosphonooxy)heptanoic acid |
| ZINC: | ZINC000584905133 |
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