| PDB CCD ID: | A1EAX |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C13 H23 N O8 |
| InChI: | InChI=1S/C13H23NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2,4,6-21H,3H2,1H3/t4-,6+,7+,8-,9+,10+,11+,12-,13+/m1/s1 |
| InChIKey: | RBZIIHWPZWOIDU-NLVRWMLHSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC1C(C(C(C(O1)O)O)O)NC2C=C(C(C(C2O)O)O)CO | | OpenEye OEToolkits 2.0.7 | C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO | | CACTVS 3.385 | C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N[CH]2C=C(CO)[CH](O)[CH](O)[CH]2O | | CACTVS 3.385 | C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O |
|
| Name: | (2~{S},3~{R},4~{S},5~{R},6~{R})-5-[[(1~{S},4~{R},5~{S},6~{S})-3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-6-methyl-oxane-2,3,4-triol |
