Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-18 00:36:57 UTC Update Date 2022-08-31 17:58:47 UTC MiMeDB ID MMDBc0031142 Metabolite Identification Common Name lipoate Description A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3. Structure Synonyms Not Available Chemical Formula C8 H14 O2 S2 Average Molecular Weight 206.326 Monoisotopic Molecular Weight 206.043521072 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number 62-46-4 SMILES Not Available InChI Identifier InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
InChI Key AGBQKNBQESQNJD-UHFFFAOYSA-N Chemical Taxonomy Functional Ontology Not Available Physical Properties State Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Not Available Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Reaction ID Precursor Product Enzyme Reaction Type Data Source Reference
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Proteobacteria 1 Human Unknown
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details Plant Plant Brassica oleracea var. italica FooDB 31437929 detailsPlant Plant Spinacia oleracea FooDB 31437929 details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference
External Links HMDB ID Not Available DrugBank ID Not Available Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID Not Available KEGG Compound ID Not Available 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 Not Available Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]
