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CHEBI:82691 - α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA
| Formula | C18H26O19 |
| Net Charge | 0 |
| Average Mass | 546.387 |
| Monoisotopic Mass | 546.10683 |
| SMILES | O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3C(=O)O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O |
| WURCS | WURCS=2.0/1,3,2/[a2112A-1a_1-5]/1-1-1/a4-b1_b4-c1 |
| InChI | InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-/m0/s1 |
| InChIKey | LCLHHZYHLXDRQG-MKJFYJHKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Clostridium cellulovorans (ncbitaxon:1493) | - | PubMed (16346602) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82691) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82691) is a carbohydrate acid (CHEBI:33720) |
| α-D-GalpA-(1→4)-α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:82691) is a trisaccharide (CHEBI:27150) |
| IUPAC Name |
|---|
| α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronic acid |
| Synonyms | Source |
|---|---|
| α-D-GalA-(1→4)-α-D-GalA-(1→4)-α-D-GalA | ChEBI |
| α-D-galacturonosyl-(1→4)-α-D-galacturonosyl-(1→4)-α-D-galactnuronic acid | ChEBI |
| trigalacturonic acid | ChEBI |
| pectin trisaccharide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1278480 | Reaxys |
| Citations |
|---|