Showing chemical card for 4,5-dihydroxyhexanoic acid (CFc000220998)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2022-08-28 10:25:12 UTC | ||||||||
| Update Date | 2022-09-14 01:40:31 UTC | ||||||||
| Chemfont ID | CFc000220998 | ||||||||
| Molecule Identification | |||||||||
| Common Name | 4,5-dihydroxyhexanoic acid | ||||||||
| Definition | 4,5-dihydroxyhexanoic acid or DHHA is a water-soluble organic acid. It probably arises from the reaction of succinic semialdehyde with an intermediate in the pyruvate dehydrogenase pathway. DHHA is found in the urine and appears to be a marker for Succinic semialdehyde dehydrogenase (SSADH) deficiency (PMID: 3126356 ). SSADH is a disorder that arises from a defect in gamma-aminobutyric acid catabolism, resulting in the accumulation of gamma-hydroxybutyric acid (GHB), 2,4-dihydroxybutyric acid, adipic acid as well as elevated levels of 4,5-dihydroxyhexanoic acid, and 4,5-dihydroxyhexanoic acid lactone. SSADH causes neurological and cognitive disorders of varying severity (PMID: 3126356 ). Children with SSADH deficiency usually manifest with developmental delay, behavioral symptoms, language dysfunction, seizures, hypotonia, extrapyramidal symptoms, and ataxia (PMID: 32055132 ). | ||||||||
| Structure |  | ||||||||
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| Chemical Formula | C6H12O4 | ||||||||
| Average Molecular Weight | 148.158 | ||||||||
| Monoisotopic Molecular Weight | 148.073558866 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| CAS Registry Number | Not Available | ||||||||
| SMILES | CC(O)C(O)CCC(O)=O | ||||||||
| InChI Identifier | InChI=1S/C6H12O4/c1-4(7)5(8)2-3-6(9)10/h4-5,7-8H,2-3H2,1H3,(H,9,10) | ||||||||
| InChI Key | FKHCKVQMPWUKCV-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Description | Belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. | ||||||||
| Kingdom | Organic compounds | ||||||||
| Super Class | Organic acids and derivatives | ||||||||
| Class | Hydroxy acids and derivatives | ||||||||
| Sub Class | Medium-chain hydroxy acids and derivatives | ||||||||
| Direct Parent | Medium-chain hydroxy acids and derivatives | ||||||||
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| Substituents |
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| Molecular Framework | Aliphatic acyclic compounds | ||||||||
| External Descriptors | Not Available | ||||||||
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| Physiological effect | Not Available | ||||||||
| Disposition | Source
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| Process | Not Available | ||||||||
| Role | Not Available | ||||||||
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| HMDB ID | HMDB0240745 | ||||||||
| DrugBank ID | Not Available | ||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| Chemspider ID | 60645551 | ||||||||
| KEGG Compound ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PubChem Compound | 57417380 | ||||||||
| PDB ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| Food Biomarker Ontology | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
