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CHEBI:48043 - (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid
| Formula | C27H46O5 |
| Net Charge | 0 |
| Average Mass | 450.660 |
| Monoisotopic Mass | 450.33452 |
| 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)CCC[C@@H](C)C(=O)O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | CNWPIIOQKZNXBB-WBYPBBSPSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48043) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:18402) |
| (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48043) is conjugate acid of (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oate (CHEBI:58734) |
| Incoming Relation(s) |
| (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oate (CHEBI:58734) is conjugate base of (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48043) |
| IUPAC Name |
|---|
| (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid |
| Synonym | Source |
|---|---|
| (3α,5β,7α,12α,25R)-3,7,12-trihydroxycholestan-26-oic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3224559 | Beilstein |