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CHEBI:66290 - quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester
| Formula | C57H90O25 |
| Net Charge | 0 |
| Average Mass | 1175.322 |
| Monoisotopic Mass | 1174.57712 |
| SMILES | [H][C@@]1(O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@@]3([H])C3=CC[C@]5([H])[C@@]6(C)CC[C@H](O)[C@@](C)(C=O)[C@]6([H])CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@H](C)[C@H](O)[C@@H]2O)O[C@@H](C)[C@H](O[C@]2([H])OC[C@@H](O)[C@H](O[C@]3([H])OC[C@H](O[C@]4([H])OC[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C57H90O25/c1-23-34(63)37(66)45(81-49-41(70)38(67)43(24(2)77-49)79-48-42(71)44(28(60)20-74-48)80-47-40(69)36(65)29(21-75-47)78-46-39(68)35(64)27(59)19-73-46)50(76-23)82-51(72)57-16-15-52(3,4)17-26(57)25-9-10-31-53(5)13-12-32(61)54(6,22-58)30(53)11-14-55(31,7)56(25,8)18-33(57)62/h9,22-24,26-50,59-71H,10-21H2,1-8H3/t23-,24+,26+,27+,28-,29+,30-,31-,32+,33-,34+,35+,36+,37+,38+,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,50+,53+,54+,55-,56-,57-/m1/s1 |
| InChIKey | OFOINNASBFYBOI-NJDMZDQFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gypsophila oldhamiana (IPNI:154553-1) | root (BTO:0001188) | PubMed (16880670) |
| Roles Classification |
|---|
| Biological Roles: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | immunomodulator Biologically active substance whose activity affects or plays a role in the functioning of the immune system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) has functional parent quillaic acid (CHEBI:8710) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) has role immunomodulator (CHEBI:50846) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) has role plant metabolite (CHEBI:76924) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) is a aldehyde (CHEBI:17478) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) is a carboxylic ester (CHEBI:33308) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) is a pentacyclic triterpenoid (CHEBI:25872) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) is a pentasaccharide derivative (CHEBI:63566) |
| quillaic acid α-L-Arap-(1→4)-α-L-Arap-(1→3)-β-D-Xylp-(1→4)-α-L-Rhap-(1→2)-β-D-fucopyranosyl ester (CHEBI:66290) is a triterpenoid saponin (CHEBI:61778) |
| IUPAC Name |
|---|
| α-L-arabinopyranosyl-(1→4)-α-L-arabinopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-1-O-[(3β,16α)-3,16-dihydroxy-23,28-dioxoolean-12-en-28-yl]-β-D-galactopyranose |
| Synonyms | Source |
|---|---|
| quillaic acid α-L-arabinopyranosyl-(1→4)-α-L-arabinopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-α-L-rhamnopyranosyl-(1→2)-β-D-fucopyranosyl ester | ChEBI |
| quillaic acid glycosidic ester | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:10518815 | Reaxys |
| Citations |
|---|