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CHEBI:87047 - 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate
| Formula | C29H47O3 |
| Net Charge | -1 |
| Average Mass | 443.692 |
| Monoisotopic Mass | 443.35307 |
| SMILES | [H][C@@]12CCC3=C(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/h18-19,21-22,24-25,30H,7-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,24-,25+,27-,28-,29+/m1/s1 |
| InChIKey | GLCDBDRQLZKKOJ-LJAIZBFVSA-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-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) has role human metabolite (CHEBI:77746) |
| 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) is a steroid acid anion (CHEBI:50160) |
| 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) is conjugate base of 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) |
| Incoming Relation(s) |
| 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylic acid (CHEBI:87277) is conjugate acid of 3β-hydroxy-4β-methyl-5α-cholest-8-ene-4α-carboxylate (CHEBI:87047) |
| IUPAC Name |
|---|
| (3β,4α,5α)-3-hydroxy-4-methylcholest-8-ene-4-carboxylate |
| Synonym | Source |
|---|---|
| 4α-carboxy-4β-methyl-5α-cholest-8-en-3β-ol(1−) | ChEBI |
| UniProt Name | Source |
|---|---|
| 4α-carboxy-4β-methyl-5α-cholest-8-en-3β-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-8613 | MetaCyc |