loading...| Preferred Name |
1,3,7-Trioxo-5beta-cholan-24-oic Acid |
| Synonyms |
(4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,3,7-trioxo-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| ID |
http://purl.obolibrary.org/obo/CHEBI_184605 |
| charge |
0 |
| database_cross_reference |
LIPID_MAPS_instance:LMST04010259 Chemspider:4447100 |
| formula |
C24H34O5 |
| has_exact_synonym |
(4R)-4-[(5S,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-1,3,7-trioxo-5,6,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:184605 |
| in_subset | |
| inchi |
InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23-,24+/m1/s1 |
| inchikey |
VPDKHLKMMUNLNL-QKIUUDMISA-N |
| label |
1,3,7-Trioxo-5beta-cholan-24-oic Acid |
| mass |
402.531 |
| monoisotopicmass |
402.24062 |
| notation |
CHEBI:184605 |
| prefLabel |
1,3,7-Trioxo-5beta-cholan-24-oic Acid |
| smiles |
O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(CC(=O)CC4=O)[H])C)[H])C)[H])[H] |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||