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CHEBI:71531 - gypsogenic 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)CC[C@@]3(C)[C@]1(C)CC[C@]1([H])[C@]2(C)CC[C@H](O)[C@@]1(C)C(=O)O |
| InChI | InChI=1S/C30H46O5/c1-25(2)13-15-30(24(34)35)16-14-27(4)18(19(30)17-25)7-8-20-26(3)11-10-22(31)29(6,23(32)33)21(26)9-12-28(20,27)5/h7,19-22,31H,8-17H2,1-6H3,(H,32,33)(H,34,35)/t19-,20+,21+,22-,26+,27+,28+,29-,30-/m0/s1 |
| InChIKey | PAIBKVQNJKUVCE-JUENUIDLSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| gypsogenic acid (CHEBI:71531) has parent hydride oleanane (CHEBI:36481) |
| gypsogenic acid (CHEBI:71531) has role antibacterial agent (CHEBI:33282) |
| gypsogenic acid (CHEBI:71531) has role metabolite (CHEBI:25212) |
| gypsogenic acid (CHEBI:71531) is a hydroxy carboxylic acid (CHEBI:24669) |
| gypsogenic acid (CHEBI:71531) is a pentacyclic triterpenoid (CHEBI:25872) |
| gypsogenic acid (CHEBI:71531) is conjugate acid of gypsogenate(2−) (CHEBI:140468) |
| Incoming Relation(s) |
| dianversicoside C (CHEBI:65757) has functional parent gypsogenic acid (CHEBI:71531) |
| dianversicoside D (CHEBI:65758) has functional parent gypsogenic acid (CHEBI:71531) |
| dianversicoside G (CHEBI:65761) has functional parent gypsogenic acid (CHEBI:71531) |
| gypsogenate 28-β-D-glucoside(1−) (CHEBI:167132) has functional parent gypsogenic acid (CHEBI:71531) |
| gypsosaponin C (CHEBI:65994) has functional parent gypsogenic acid (CHEBI:71531) |
| pisonolic acid (CHEBI:67368) has functional parent gypsogenic acid (CHEBI:71531) |
| gypsogenate(2−) (CHEBI:140468) is conjugate base of gypsogenic acid (CHEBI:71531) |
| IUPAC Name |
|---|
| (3β)-3-hydroxyolean-12-ene-23,28-dioic acid |
| Synonyms | Source |
|---|---|
| acanjapogenin G | ChEBI |
| gypsogeninic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-9474 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3228938 | Reaxys |
| Citations |
|---|