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CHEBI:145219 - bisnorcholic acid
| Formula | C22H36O5 |
| Net Charge | 0 |
| Average Mass | 380.525 |
| Monoisotopic Mass | 380.25627 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)C(=O)O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C22H36O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h11-19,23-25H,4-10H2,1-3H3,(H,26,27)/t11-,12-,13+,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1 |
| InChIKey | BBSJMECOWBMUCF-XPCRKILGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (2079611) | Identified in urine of patients with cerebrotendinous xanthomatosis. | |
| blood serum (BTO:0000133) | DOI (10.1007/s11306-011-0364-6) | Identified in blood serum of patients with myasthenia gravis. |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bisnorcholic acid (CHEBI:145219) has role human blood serum metabolite (CHEBI:85234) |
| bisnorcholic acid (CHEBI:145219) has role human urinary metabolite (CHEBI:84087) |
| bisnorcholic acid (CHEBI:145219) is a 12α-hydroxy steroid (CHEBI:36846) |
| bisnorcholic acid (CHEBI:145219) is a 3α-hydroxy steroid (CHEBI:36835) |
| bisnorcholic acid (CHEBI:145219) is a 7α-hydroxy steroid (CHEBI:36843) |
| bisnorcholic acid (CHEBI:145219) is a bile acid (CHEBI:3098) |
| IUPAC Name |
|---|
| (2S)-2-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aS)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]propanoic acid |
| Synonyms | Source |
|---|---|
| dinorcholic acid | LIPID MAPS |
| 24-dinor-3α,7α,12α-trihydroxy-5β-cholan-22-oic acid | LIPID MAPS |
| Manual Xrefs | Databases |
|---|---|
| HMDB0002082 | HMDB |
| FDB022836 | FooDB |
| LMST04050005 | LIPID MAPS |
| Citations |
|---|