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CHEBI:8710 - quillaic acid
| Formula | C30H46O5 |
| Net Charge | 0 |
| Average Mass | 486.693 |
| Monoisotopic Mass | 486.33452 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)[C@H](O)C[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C=O |
| InChI | InChI=1S/C30H46O5/c1-25(2)13-14-30(24(34)35)19(15-25)18-7-8-21-26(3)11-10-22(32)27(4,17-31)20(26)9-12-28(21,5)29(18,6)16-23(30)33/h7,17,19-23,32-33H,8-16H2,1-6H3,(H,34,35)/t19-,20+,21+,22-,23+,26-,27-,28+,29+,30+/m0/s1 |
| InChIKey | MQUFAARYGOUYEV-UAWZMHPWSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| quillaic acid (CHEBI:8710) has parent hydride oleanane (CHEBI:36481) |
| quillaic acid (CHEBI:8710) has role anti-inflammatory agent (CHEBI:67079) |
| quillaic acid (CHEBI:8710) has role metabolite (CHEBI:25212) |
| quillaic acid (CHEBI:8710) is a aldehyde (CHEBI:17478) |
| quillaic acid (CHEBI:8710) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| quillaic acid (CHEBI:8710) is a pentacyclic triterpenoid (CHEBI:25872) |
| quillaic acid (CHEBI:8710) is conjugate acid of quillate (CHEBI:167136) |
| Incoming Relation(s) |
| gypsosaponin A (CHEBI:65992) has functional parent quillaic acid (CHEBI:8710) |
| QS-7(1−) (CHEBI:234175) has functional parent quillaic acid (CHEBI:8710) |
| quillaic acid 28-β-D-glucoside (CHEBI:167137) 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 functional parent quillaic acid (CHEBI:8710) |
| quillate (CHEBI:167136) is conjugate base of quillaic acid (CHEBI:8710) |
| IUPAC Name |
|---|
| (3β,16α)-3,16-dihydroxy-23-oxoolean-12-en-28-oic acid |
| Synonym | Source |
|---|---|
| Quillaic acid | KEGG COMPOUND |
| Citations |
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