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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: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| 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 |
|---|