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Showing metabocard for 7a-Hydroxy-5b-cholestan-3-one (BMDB0006892)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Creation Date | 2016-09-30 23:27:18 UTC | |||||||||||||||
Update Date | 2020-05-21 16:28:47 UTC | |||||||||||||||
BMDB ID | BMDB0006892 | |||||||||||||||
Secondary Accession Numbers |
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Metabolite Identification | ||||||||||||||||
Common Name | 7a-Hydroxy-5b-cholestan-3-one | |||||||||||||||
Description | 7a-Hydroxy-5b-cholestan-3-one, also known as 5b-cholestan-7a-ol-3-one, belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. 7a-Hydroxy-5b-cholestan-3-one is an extremely weak basic (essentially neutral) compound (based on its pKa). | |||||||||||||||
Structure | ||||||||||||||||
Synonyms |
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Chemical Formula | C27H46O2 | |||||||||||||||
Average Molecular Weight | 402.6529 | |||||||||||||||
Monoisotopic Molecular Weight | 402.349780716 | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | Not Available | |||||||||||||||
InChI Identifier | InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h17-19,21-25,29H,6-16H2,1-5H3/t18?,19?,21?,22?,23?,24-,25?,26-,27+/m0/s1 | |||||||||||||||
InChI Key | HWOOALPDOJHOPO-SENDYOAPSA-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 |
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Molecular Framework | Aliphatic homopolycyclic compounds | |||||||||||||||
External Descriptors | Not Available | |||||||||||||||
Ontology | ||||||||||||||||
Status | Expected but not Quantified | |||||||||||||||
Origin |
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Biofunction | Not Available | |||||||||||||||
Application | Not Available | |||||||||||||||
Cellular locations |
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Physical Properties | ||||||||||||||||
State | Solid | |||||||||||||||
Experimental Properties |
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Predicted Properties | Not Available | |||||||||||||||
Spectra | ||||||||||||||||
Spectra |
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Biological Properties | ||||||||||||||||
Cellular Locations |
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Biospecimen Locations | Not Available | |||||||||||||||
Pathways | ||||||||||||||||
Normal Concentrations | ||||||||||||||||
Not Available | ||||||||||||||||
Abnormal Concentrations | ||||||||||||||||
Not Available | ||||||||||||||||
External Links | ||||||||||||||||
HMDB ID | HMDB0006892 | |||||||||||||||
DrugBank ID | Not Available | |||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||
FooDB ID | FDB024139 | |||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||
Chemspider ID | Not Available | |||||||||||||||
KEGG Compound ID | C05451 | |||||||||||||||
BioCyc ID | Not Available | |||||||||||||||
BiGG ID | 45839 | |||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||
METLIN ID | Not Available | |||||||||||||||
PubChem Compound | 53477905 | |||||||||||||||
PDB ID | Not Available | |||||||||||||||
ChEBI ID | 2290 | |||||||||||||||
References | ||||||||||||||||
Synthesis Reference | Not Available | |||||||||||||||
Material Safety Data Sheet (MSDS) | Not Available | |||||||||||||||
General References | Not Available |
Enzymes
- General function:
- Involved in oxidoreductase activity
- Specific function:
- Not Available
- Gene Name:
- Not Available
- Uniprot ID:
- P52898
- Molecular weight:
- 36784.0
Reactions
7a-Hydroxy-5b-cholestan-3-one + NAD → 3a,7a-Dihydroxy-5b-cholestane + NADP | details |
7a-Hydroxy-cholestene-3-one + NADPH → 7a-Hydroxy-5b-cholestan-3-one + NADP | details |