DAF
Summary
| Name: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose |
| Synonyms: | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enose 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-D-xylo-hex-5-enose; 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-xylo-hex-5-enose |
| Formula: | C13 H17 N O8 |
| Formal charge: | 0 |
| Formula weight: | 315.276 Da |
| Component type: | D-saccharide, alpha linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,6-dideoxy-4-{[(1S,5R,6S)-3-formyl-5,6-dihydroxy-4-oxocyclohex-2-en-1-yl]amino}-alpha-D-xylo-hex-5-enopyranose |
| OpenEye OEToolkits | 1.7.6 | (3S,4S,5R)-3-[[(3S,4S,5R,6S)-2-methylidene-4,5,6-tris(oxidanyl)oxan-3-yl]amino]-4,5-bis(oxidanyl)-6-oxidanylidene-cyclo hexene-1-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CC2=CC(NC1C(/OC(O)C(O)C1O)=C)C(O)C(O)C2=O |
| InChI | InChI | 1.03 | InChI=1S/C13H17NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h2-3,6-7,9-14,17-21H,1H2/t6-,7+,9-,10-,11-,12+,13-/m0/s1 |
| InChIKey | InChI | 1.03 | ZGWNRGISVMYHTF-KKXLKBQTSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1OC(=C)[C@@H](N[C@H]2C=C(C=O)C(=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| SMILES | CACTVS | 3.370 | O[CH]1OC(=C)[CH](N[CH]2C=C(C=O)C(=O)[CH](O)[CH]2O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N[C@H]2C=C(C(=O)[C@@H]([C@H]2O)O)C=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=C1C(C(C(C(O1)O)O)O)NC2C=C(C(=O)C(C2O)O)C=O |
