EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C12H18O10 |
| Net Charge | 0 |
| Average Mass | 322.266 |
| Monoisotopic Mass | 322.09000 |
| SMILES | C[C@@H]1O[C@@H](O)[C@H](O[C@H]2OC(C(=O)O)=C[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,1,0/[a2211m-1a_1-5_2*OC^SC^RC^SC=^XCCO/8=O/7O$3/5O/4O]/1/ |
| InChI | InChI=1S/C12H18O10/c1-3-6(14)8(16)9(11(19)20-3)22-12-7(15)4(13)2-5(21-12)10(17)18/h2-4,6-9,11-16,19H,1H3,(H,17,18)/t3-,4-,6-,7+,8+,9+,11+,12+/m0/s1 |
| InChIKey | PBUKNNGDHZLXKG-UYKOWFBBSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose (CHEBI:62476) is a glycosylrhamnose (CHEBI:55333) |
| 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose (CHEBI:62476) is a hexuronic acid (CHEBI:24592) |
| 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose (CHEBI:62476) is conjugate acid of 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose(1−) (CHEBI:62478) |
| Incoming Relation(s) |
| 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose(1−) (CHEBI:62478) is conjugate base of 2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-rhamnopyranose (CHEBI:62476) |
| IUPAC Name |
|---|
| 6-deoxy-α-L-mannopyranos-2-O-yl 4-deoxy-β-L-threo-hex-4-enopyranuronic acid |
| Synonyms | Source |
|---|---|
| 6-deoxy-2-O-(4-deoxy-β-L-threo-hex-4-enopyranuronosyl)-α-L-mannopyranose | IUPAC |
| 2-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-α-L-rhamnopyranose | ChEBI |
| 6-deoxy-2-O-(4-deoxy-α-L-threo-hex-4-enopyranosyluronic acid)-α-L-mannopyranose | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-13121 | MetaCyc |
| Citations |
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