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CHEBI:18134 - 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid
| Formula | C29H48O3 |
| Net Charge | 0 |
| Average Mass | 444.700 |
| Monoisotopic Mass | 444.36035 |
| SMILES | [H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](O)[C@@]2(C)C(=O)O |
| InChI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/t19-,21-,22+,23+,24-,25+,27-,28-,29+/m1/s1 |
| InChIKey | UQFZKTIHSICSPG-DSHYQQBWSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) has parent hydride 5α-cholestane (CHEBI:35515) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a 3β-hydroxy steroid (CHEBI:36836) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is a steroid acid (CHEBI:47891) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) is conjugate acid of 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387) |
| Incoming Relation(s) |
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylate (CHEBI:58387) is conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid (CHEBI:18134) |
| IUPAC Name |
|---|
| 3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-carboxylic acid |
| Synonym | Source |
|---|---|
| 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C04840 | KEGG COMPOUND |