| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 23:07:05 UTC |
|---|
| Update Date | 2020-06-04 20:38:36 UTC |
|---|
| BMDB ID | BMDB0003956 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 7a-Hydroxytestosterone |
|---|
| Description | 7a-Hydroxytestosterone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Based on a literature review a small amount of articles have been published on 7a-Hydroxytestosterone. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| (17beta)-4,17-Dihydroxy-androst-4-en-3-one | HMDB | | (3b,17a)-Androst-5-ene-3,17-diol | HMDB | | 3b,17a-Dihydroxyandrost-5-ene | HMDB | | 4,17beta-Dihydroxy-4-androstene-3-one | HMDB | | 4-Androstene-7alpha-17beta-diol-3-one | HMDB | | 4-OHT | HMDB | | 7alpha-Hydroxytestosterone | HMDB | | Androst-5-ene-3b,17a-diol | HMDB | | D5-Androstene-3b,17a-diol | HMDB | | 4,17 beta-Dihydroxy-4-androstene-3-one | MeSH, HMDB |
|
|---|
| Chemical Formula | C19H28O3 |
|---|
| Average Molecular Weight | 304.4238 |
|---|
| Monoisotopic Molecular Weight | 304.203844762 |
|---|
| IUPAC Name | (2R,14S,15S)-6,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one |
|---|
| Traditional Name | (2R,14S,15S)-6,14-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-5-one |
|---|
| CAS Registry Number | 2141-17-5 |
|---|
| SMILES | C[C@]12CCC3C(CCC4=C(O)C(=O)CC[C@]34C)C1CC[C@@H]2O |
|---|
| InChI Identifier | InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11?,12?,13?,16-,18+,19-/m0/s1 |
|---|
| InChI Key | BQOIJSIMMIDHMO-XRJYYLNASA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Steroids and steroid derivatives |
|---|
| Sub Class | Androstane steroids |
|---|
| Direct Parent | Androgens and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Androgen-skeleton
- 3-oxo-delta-4-steroid
- 3-oxosteroid
- 4-hydroxysteroid
- Hydroxysteroid
- Oxosteroid
- 17-hydroxysteroid
- Delta-4-steroid
- Cyclohexenone
- Cyclic alcohol
- Ketone
- Secondary alcohol
- Cyclic ketone
- Enol
- Organic oxygen compound
- Organooxygen compound
- Alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Aliphatic homopolycyclic compound
|
|---|
| Molecular Framework | Aliphatic homopolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Status | Detected and 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 | 155 - 156 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 2.344 | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
