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CHEBI:168850 - 3'-Sialyllactosamine
| Formula | C23H40N2O18 |
| Net Charge | 0 |
| Average Mass | 632.569 |
| Monoisotopic Mass | 632.22761 |
| SMILES | CC(=O)N[C@H]1C([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](N)C=O)[C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@@H]1O |
| InChI | InChI=1S/C23H40N2O18/c1-7(30)25-13-9(31)2-23(22(38)39,42-19(13)15(35)10(32)4-27)43-20-16(36)12(6-29)40-21(17(20)37)41-18(11(33)5-28)14(34)8(24)3-26/h3,8-21,27-29,31-37H,2,4-6,24H2,1H3,(H,25,30)(H,38,39)/t8-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19?,20-,21-,23-/m0/s1 |
| InChIKey | MKNNYTWMAUAKMA-FRLIKFETSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3'-Sialyllactosamine (CHEBI:168850) is a neuraminic acids (CHEBI:25508) |
| IUPAC Name |
|---|
| (2S,4S,5R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R)-5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35016013 | ChemSpider |
| HMDB0006607 | HMDB |