EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H38O20 |
| Net Charge | 0 |
| Average Mass | 646.548 |
| Monoisotopic Mass | 646.19564 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2211m-1a_1-5][a2122h-1b_1-5_4*OC^RC^RC^SC=^XCCO/8=O/7O$3/5O/4O]/1-2-3/a3-b1_b4-c1 |
| InChI | InChI=1S/C24H38O20/c1-5-17(12(30)14(32)23(38-5)44-19-11(29)8(3-25)39-21(37)16(19)34)42-24-15(33)13(31)18(9(4-26)41-24)43-22-10(28)6(27)2-7(40-22)20(35)36/h2,5-6,8-19,21-34,37H,3-4H2,1H3,(H,35,36)/t5-,6-,8+,9+,10+,11+,12-,13+,14+,15+,16+,17-,18+,19-,21+,22-,23-,24-/m0/s1 |
| InChIKey | JMDPLHPAGLYHCI-DPADXCMISA-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) |
| β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp (CHEBI:62763) is a β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-D-Glcp (CHEBI:136858) |
| β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp (CHEBI:62763) is conjugate acid of β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp(1−) (CHEBI:63254) |
| Incoming Relation(s) |
| β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp(1−) (CHEBI:63254) is conjugate base of β-D-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp (CHEBI:62763) |
| IUPAC Name |
|---|
| 4-deoxy-α-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→3)-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 4-deoxy-α-L-threo-hex-4-enopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→3)-β-D-glucopyranose | ChEBI |
| β-D-4-deoxy-Δ4-GlcAp-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp | ChEBI |
| β-D-4-deoxy-Δ4-GlcpA-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp | ChEBI |
| Citations |
|---|