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CHEBI:176938 - Aldotetraouronic acid
| Formula | C22H36O19 |
| Net Charge | 0 |
| Average Mass | 604.511 |
| Monoisotopic Mass | 604.18508 |
| SMILES | CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O[C@@H]3CO[C@@H](O[C@@H]4COC(O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@@H]1C(=O)O |
| WURCS | WURCS=2.0/3,4,3/[a212h-1x_1-5][a212h-1b_1-5][a2122A-1a_1-5_4*OC]/1-2-2-3/a4-b1_b4-c1_c2-d1 |
| InChI | InChI=1S/C22H36O19/c1-34-15-11(27)14(30)21(41-17(15)18(31)32)40-16-8(24)5(23)2-36-22(16)39-7-4-37-20(13(29)10(7)26)38-6-3-35-19(33)12(28)9(6)25/h5-17,19-30,33H,2-4H2,1H3,(H,31,32)/t5-,6-,7-,8+,9+,10+,11-,12-,13-,14-,15+,16-,17+,19?,20+,21+,22+/m1/s1 |
| InChIKey | DWUMRQPTCMDVJD-NREUCUKASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptococcus mutans (ncbitaxon:1309) | biofilm (BTO:0002690) | MetaboLights (MTBLS3020) | Strain: Streptococcus mutans UA159 [NCBI:txid210007] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aldotetraouronic acid (CHEBI:176938) is a oligosaccharide (CHEBI:50699) |
| IUPAC Name |
|---|
| (2S,3S,4R,5R,6S)-6-[(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid |