| Record Information |
|---|
| Version |
3.5 |
| Creation Date |
2008-08-13 07:21:54 -0600 |
| Update Date |
2013-02-08 17:15:25 -0700 |
| HMDB ID |
HMDB06845 |
| Secondary Accession Numbers |
|
| Metabolite Identification |
|---|
| Common Name |
4a-Methylfecosterol |
| Description |
4alpha-Methylfecosterol is involved in the biosynthesis of steroids. 4alpha-Methylfecosterol is converted from delta8,14 -Sterol by delta14-sterol reductase [EC:1.3.1.70]. 4alpha-Methylfecosterol is converted to 24-Methylene lophenol by cholestenol delta-isomerase [EC:5.3.3.5]. |
| Structure |
Download:
MOL |
SDF |
SMILES |
InChI
Display:
2D Structure |
3D Structure
|
| Synonyms |
- 4alpha-Methylfecosterol
|
| Chemical Formula |
C29H48O |
| Average Molecular Weight |
412.6908 |
| Monoisotopic Molecular Weight |
412.370516158 |
| IUPAC Name |
(2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol |
| Traditional IUPAC Name |
4a-methylfecosterol |
| CAS Registry Number |
Not Available |
| SMILES |
[H][C@@](C)(CCC(=C)C(C)C)[C@@]1([H])CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3 |
| InChI Identifier |
InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3/t20-,21+,23-,24+,25+,27+,28-,29+/m1/s1 |
| InChI Key |
QLDNWJOJCDIMKK-XLFBYWHPSA-N |
| Chemical Taxonomy |
|---|
| Kingdom |
Organic Compounds |
| Super Class |
Lipids |
| Class |
Steroids and Steroid Derivatives |
| Sub Class |
Ergosterols and Derivatives |
| Other Descriptors |
- Aliphatic Homopolycyclic Compounds
- Triterpenes
- a steroid(Cyc)
|
| Substituents |
- 3 Hydroxy Steroid
- Cyclic Alcohol
- Cyclohexane
- Cyclohexene
- Isoprene
- Secondary Alcohol
|
| Direct Parent |
Ergosterols and Derivatives |
| Ontology |
|---|
| Status |
Expected and Not Quantified |
| Origin |
|
| Biofunction |
- Cell signaling
- Fuel and energy storage
- Fuel or energy source
- Membrane integrity/stability
|
| Application |
- Nutrients
- Stabilizers
- Surfactants and Emulsifiers
|
| Cellular locations |
|
| Physical Properties |
|---|
| State |
Solid |
| Experimental Properties |
| Property |
Value |
Reference |
| Melting Point |
Not Available |
Not Available |
| Boiling Point |
Not Available |
Not Available |
| Water Solubility |
Not Available |
Not Available |
| LogP |
Not Available |
Not Available |
|
| Predicted Properties |
|
| Spectra |
|---|
|
Not Available
|
| Biological Properties |
|---|
| Cellular Locations |
|
| Biofluid Locations |
Not Available
|
| Tissue Location |
Not Available
|
| Pathways |
Not Available
|
| Normal Concentrations |
|---|
|
Not Available |
| Abnormal Concentrations |
|---|
|
Not Available |
| Associated Disorders and Diseases |
|---|
| Disease References |
None |
| Associated OMIM IDs |
None |
| External Links |
|---|
| DrugBank ID |
Not Available |
| Phenol Explorer Compound ID |
Not Available |
| Phenol Explorer Metabolite ID |
Not Available |
| FoodDB ID |
FDB012688 |
| KNApSAcK ID |
C00007524  |
| Chemspider ID |
167937 |
| KEGG Compound ID |
C15776 |
| BioCyc ID |
CPD-4081 |
| BiGG ID |
Not Available |
| Wikipedia Link |
Not Available |
| NuGOwiki Link |
HMDB06845 |
| Metagene Link |
HMDB06845 |
| METLIN ID |
Not Available |
| PubChem Compound |
193524 |
| PDB ID |
Not Available |
| ChEBI ID |
Not Available |
| References |
|---|
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available
|
| General References |
Not Available
|
