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CHEBI:40583 - α-D-GalpA-(1→4)-α-D-GalpA
| Formula | C12H18O13 |
| Net Charge | 0 |
| Average Mass | 370.263 |
| Monoisotopic Mass | 370.07474 |
| SMILES | O=C(O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)O)[C@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1 |
| InChIKey | IGSYEZFZPOZFNC-MMGXBETBSA-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 (CHEBI:40583) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:40583) is a α-D-GalpA-(1→4)-D-GalpA (CHEBI:141006) |
| α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:40583) is conjugate acid of α-D-GalpA-(1→4)-α-D-GalpA(2−) (CHEBI:39473) |
| Incoming Relation(s) |
| α-D-GalpA-(1→4)-α-D-GalpA(2−) (CHEBI:39473) is conjugate base of α-D-GalpA-(1→4)-α-D-GalpA (CHEBI:40583) |
| IUPAC Names |
|---|
| 4-O-(α-D-galactopyranosyluronic acid)-α-D-galactopyranuronic acid |
| (α-D-galactopyranosyluronic acid)-(1→4)-α-D-galactopyranuronic acid |
| α-D-galactopyranuronosyl-(1→4)-α-D-galactopyranuronic acid |
| Synonyms | Source |
|---|---|
| Digalacturonic acid | ChemIDplus |
| 4-O-α-D-galactopyranuronosyl-α-D-galactopyranuronic acid | ChEBI |
| 4-O-alpha-D-Galactopyranuronosyl-alpha-D-galactopyranuronic acid | ChemIDplus |
| O-(alpha-D-Galactopyranosyluronic acid)-(1-4)-alpha-D-galactopyranuronic acid | ChemIDplus |
| DIGALACTURONIC ACID | PDBeChem |
| α-D-GalA-(1→4)-α-D-GalA | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| AD0 | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1442091 | Reaxys |
| CAS:28144-27-6 | ChemIDplus |
| Citations |
|---|