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CHEBI:87055 - 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate
| Formula | C28H45O3 |
| Net Charge | -1 |
| Average Mass | 429.665 |
| Monoisotopic Mass | 429.33742 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CCC1=C2CC[C@@]2([H])[C@H](C(=O)[O-])[C@@H](O)CC[C@]12C |
| InChI | InChI=1S/C28H46O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h17-18,20-21,23-25,29H,6-16H2,1-5H3,(H,30,31)/p-1/t18-,20-,21+,23+,24+,25+,27-,28-/m1/s1 |
| InChIKey | RODBXVVNKJCWQR-GSQAGGHASA-M |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) has role human metabolite (CHEBI:77746) |
| 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is a steroid acid anion (CHEBI:50160) |
| 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is conjugate base of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87293) |
| 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) is tautomer of 4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943) |
| Incoming Relation(s) |
| 3β-hydroxy-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87293) is conjugate acid of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) |
| 4α-carboxy-5α-cholest-7-en-3β-ol(1−) (CHEBI:145943) is tautomer of 3β-hydroxy-5α-cholest-8-ene-4α-carboxylate (CHEBI:87055) |
| IUPAC Name |
|---|
| (3β,4α,5α)-3-hydroxycholest-8-ene-4-carboxylate |
| Synonym | Source |
|---|---|
| 4α-carboxy-5α-cholest-8-en-3β-ol(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 4α-carboxy-5α-cholest-8-ene-3β-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| LMST01010228 | LIPID MAPS |
| CPD-8619 | MetaCyc |