| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 22:42:42 UTC |
|---|
| Update Date | 2020-05-21 16:28:43 UTC |
|---|
| BMDB ID | BMDB0001217 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 4a-Methylzymosterol |
|---|
| Description | 4a-Methylzymosterol, also known as dinoproston or (15S)-prostaglandin E2, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. Thus, 4a-methylzymosterol is considered to be a sterol lipid molecule. 4a-Methylzymosterol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (3beta,4alpha,5alpha)-4-Methylcholesta-8,24-dien-3-ol | ChEBI | | 4alpha-Methyl-5alpha-cholesta-8,24-dien-3beta-ol | ChEBI | | (3b,4a,5a)-4-Methylcholesta-8,24-dien-3-ol | Generator | | (3β,4α,5α)-4-Methylcholesta-8,24-dien-3-ol | Generator | | 4a-Methyl-5a-cholesta-8,24-dien-3b-ol | Generator | | 4α-Methyl-5α-cholesta-8,24-dien-3β-ol | Generator | | (4S,5S)-4,10,13-Trimethyl-17-(6-methylhept-5-en-2-yl)-2,3,4,5,6,7,11,12,14, 15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol | HMDB | | 4alpha-Methylzymosterol | HMDB | | 4alpha-Methyl-5alpha-cholesta-8(9),24-dien-3beta-ol | HMDB | | 4alpha-Methyl-delta8,24-cholestenol | HMDB | | 4α-Methyl-5α-cholesta-8(9),24-dien-3β-ol | HMDB | | 4α-Methyl-Δ8,24-cholestenol | HMDB | | 4α-Methylzymosterol | HMDB |
|
|---|
| Chemical Formula | C28H46O |
|---|
| Average Molecular Weight | 398.6642 |
|---|
| Monoisotopic Molecular Weight | 398.354866094 |
|---|
| IUPAC Name | (2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol |
|---|
| Traditional Name | (2S,5S,6S,7S,11R,14R,15R)-2,6,15-trimethyl-14-[(2R)-6-methylhept-5-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-5-ol |
|---|
| CAS Registry Number | 7448-03-5 |
|---|
| SMILES | [H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@]1([H])CC3)[C@H](C)CCC=C(C)C |
|---|
| InChI Identifier | InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,26+,27-,28+/m1/s1 |
|---|
| InChI Key | FOUJWBXBKVVHCJ-YIJYGBTNSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Steroids and steroid derivatives |
|---|
| Sub Class | Cholestane steroids |
|---|
| Direct Parent | Cholesterols and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Cholesterol-skeleton
- 3-beta-hydroxysteroid
- Hydroxysteroid
- 3-hydroxysteroid
- Cyclic alcohol
- Secondary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
|
|---|
| Molecular Framework | Aliphatic homopolycyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | - Cell membrane
- Cytoplasm
- Membrane
|
|---|
| 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 |
|---|
| Spectra | |
|---|
