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Showing metabocard for 3-Hydroxybutyryl-CoA (BMDB0001166)
| Record Information | |||||||||||||||||||
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| Version | 1.0 | ||||||||||||||||||
| Creation Date | 2016-09-30 22:41:54 UTC | ||||||||||||||||||
| Update Date | 2020-05-21 16:28:28 UTC | ||||||||||||||||||
| BMDB ID | BMDB0001166 | ||||||||||||||||||
| Secondary Accession Numbers |
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| Metabolite Identification | |||||||||||||||||||
| Common Name | 3-Hydroxybutyryl-CoA | ||||||||||||||||||
| Description | (S)-3-hydroxybutanoyl-CoA belongs to the class of organic compounds known as (s)-3-hydroxyacyl coas. These are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. Based on a literature review very few articles have been published on (S)-3-hydroxybutanoyl-CoA. | ||||||||||||||||||
| Structure |  | ||||||||||||||||||
| Synonyms |
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| Chemical Formula | C25H42N7O18P3S | ||||||||||||||||||
| Average Molecular Weight | 853.623 | ||||||||||||||||||
| Monoisotopic Molecular Weight | 853.151987801 | ||||||||||||||||||
| IUPAC Name | Not Available | ||||||||||||||||||
| Traditional Name | Not Available | ||||||||||||||||||
| CAS Registry Number | 2871-66-1 | ||||||||||||||||||
| SMILES | Not Available | ||||||||||||||||||
| InChI Identifier | InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1 | ||||||||||||||||||
| InChI Key | QHHKKMYHDBRONY-VKBDFPRVSA-N | ||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||
| Description | belongs to the class of organic compounds known as (s)-3-hydroxyacyl coas. These are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. | ||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | ||||||||||||||||||
| Class | Fatty Acyls | ||||||||||||||||||
| Sub Class | Fatty acyl thioesters | ||||||||||||||||||
| Direct Parent | (S)-3-hydroxyacyl CoAs | ||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||||||||
| External Descriptors |
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| 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 |
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| Normal Concentrations | |||||||||||||||||||
| Not Available | |||||||||||||||||||
| Abnormal Concentrations | |||||||||||||||||||
| Not Available | |||||||||||||||||||
| External Links | |||||||||||||||||||
| HMDB ID | HMDB0303997 | ||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||
| FooDB ID | FDB030161 | ||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||
| Chemspider ID | 7822010 | ||||||||||||||||||
| KEGG Compound ID | C01144 | ||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||
| PubChem Compound | Not Available | ||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||
| ChEBI ID | 15453 | ||||||||||||||||||
| References | |||||||||||||||||||
| Synthesis Reference | Not Available | ||||||||||||||||||
| Material Safety Data Sheet (MSDS) | Not Available | ||||||||||||||||||
| General References | Not Available | ||||||||||||||||||
Enzymes
- General function:
- Not Available
- Specific function:
- Straight-chain enoyl-CoA thioesters from C4 up to at least C16 are processed, although with decreasing catalytic rate (By similarity). Has high substrate specificity for crotonyl-CoA and moderate specificity for acryloyl-CoA, 3-methylcrotonyl-CoA and methacrylyl-CoA. It is noteworthy that binds tiglyl-CoA, but hydrates only a small amount of this substrate (By similarity).
- Gene Name:
- ECHS1
- Uniprot ID:
- Q58DM8
- Molecular weight:
- 31243.0
Reactions
| 3-Hydroxybutyryl-CoA → Crotonoyl-CoA + Water | details |