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CHEBI:88109 - 7α-hydroxy-3-oxochol-4-en-24-oic acid
| Formula | C24H36O4 |
| Net Charge | 0 |
| Average Mass | 388.548 |
| Monoisotopic Mass | 388.26136 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C |
| InChI | InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | CFLVYJJIZHNITM-NLXMLWGDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | PubMed (8808760) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has functional parent 7α,12α-dihydroxy-3-oxochol-4-en-24-oic acid (CHEBI:49269) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) has role human urinary metabolite (CHEBI:84087) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a 3-oxo-Δ4 steroid (CHEBI:47909) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a 7α-hydroxy steroid (CHEBI:36843) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a bile acid (CHEBI:3098) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is a cholenoic acid (CHEBI:49273) |
| 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) is conjugate acid of 7α-hydroxy-3-oxochol-4-en-24-oate (CHEBI:87747) |
| Incoming Relation(s) |
| 7α-hydroxy-3-oxochol-4-en-24-oate (CHEBI:87747) is conjugate base of 7α-hydroxy-3-oxochol-4-en-24-oic acid (CHEBI:88109) |
| IUPAC Name |
|---|
| 7α-hydroxy-3-oxochol-4-en-24-oic acid |
| Synonyms | Source |
|---|---|
| 3-Oxo-7-hydroxychol-4-enoic acid | ChemIDplus |
| (7alpha)-7-Hydroxy-3-oxochol-4-en-24-oic acid | ChemIDplus |
| 3-Oxo-7alpha-hydroxychol-4-enoic acid | ChemIDplus |
| 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid | ChemIDplus |
| (7α)-7-hydroxy-3-oxochol-4-en-24-oic acid | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| LMST04010239 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5616701 | Reaxys |
| CAS:14772-95-3 | ChemIDplus |
| Citations |
|---|