EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:73086 - protobassic acid
| Formula | C30H48O6 |
| Net Charge | 0 |
| Average Mass | 504.708 |
| Monoisotopic Mass | 504.34509 |
| SMILES | [H][C@]12CC=C3[C@]4([H])CC(C)(C)CC[C@]4(C(=O)O)CC[C@@]3(C)[C@]1(C)C[C@@H](O)[C@]1([H])[C@]2(C)C[C@H](O)[C@H](O)[C@@]1(C)CO |
| InChI | InChI=1S/C30H48O6/c1-25(2)9-11-30(24(35)36)12-10-28(5)17(18(30)13-25)7-8-21-26(3)14-20(33)23(34)27(4,16-31)22(26)19(32)15-29(21,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19+,20-,21+,22+,23-,26+,27-,28+,29+,30-/m0/s1 |
| InChIKey | IDQVFXZQPGAVAM-YPRSBIJBSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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) |
| protobassic acid (CHEBI:73086) has functional parent oleanolic acid (CHEBI:37659) |
| protobassic acid (CHEBI:73086) has parent hydride oleanane (CHEBI:36481) |
| protobassic acid (CHEBI:73086) has role antifungal agent (CHEBI:35718) |
| protobassic acid (CHEBI:73086) has role metabolite (CHEBI:25212) |
| protobassic acid (CHEBI:73086) is a monocarboxylic acid (CHEBI:25384) |
| protobassic acid (CHEBI:73086) is a pentacyclic triterpenoid (CHEBI:25872) |
| protobassic acid (CHEBI:73086) is a tetrol (CHEBI:33573) |
| Incoming Relation(s) |
| madhucoside A (CHEBI:66652) has functional parent protobassic acid (CHEBI:73086) |
| madhucoside B (CHEBI:66653) has functional parent protobassic acid (CHEBI:73086) |
| IUPAC Name |
|---|
| (2β,3β,6β)-2,3,6,23-tetrahydroxyolean-12-en-28-oic acid |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034500 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5913850 | Reaxys |
| CAS:37905-13-8 | ChemIDplus |
| Citations |
|---|