loading...| Preferred Name |
ursolic acid |
|
| Synonyms |
Ursolic acid 3beta-hydroxyurs-12-en-28-oic acid (3beta)-3-hydroxyurs-12-en-28-oic acid prunol malol urson |
|
| Definitions |
A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_9908 |
|
| charge |
0 |
|
| database_cross_reference |
KNApSAcK:C00003558 CAS:77-52-1 Beilstein:2228563 DrugBank:DB15588 PMID:17516089 PMID:30496629 Reaxys:2228563 PMID:28493531 KEGG:C08988 LIPID_MAPS_instance:LMPR0106180007 HMDB:HMDB0002395 FooDB:FDB014373 PDBeChem:6Q5 Wikipedia:Ursolic_acid |
|
| definition |
A pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. |
|
| formula |
C30H48O3 |
|
| has parent hydride | ||
| has role | ||
| has_exact_synonym |
Ursolic acid 3beta-hydroxyurs-12-en-28-oic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(3beta)-3-hydroxyurs-12-en-28-oic acid prunol malol urson |
|
| id |
CHEBI:9908 |
|
| in_subset | ||
| inchi |
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
|
| inchikey |
WCGUUGGRBIKTOS-GPOJBZKASA-N |
|
| label |
ursolic acid |
|
| mass |
456.711 |
|
| monoisotopicmass |
456.36035 |
|
| notation |
CHEBI:9908 |
|
| prefLabel |
ursolic acid |
|
| smiles |
[H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |
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| treeView | ||
| subClassOf |