Record Information Version 1.0 Status Detected and Quantified Creation Date 2022-06-17 19:35:14 UTC Update Date 2022-08-12 20:09:05 UTC MiMeDB ID MMDBc0054805 Metabolite Identification Common Name (2E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoic acid Description (2E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoate belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Based on a literature review very few articles have been published on (2E)-3-(4-hydroxyphenyl)-2-isocyanoprop-2-enoate. Structure Synonyms Value Source (2E)-3-(4-Hydroxyphenyl)-2-isocyanoprop-2-enoic acid Generator
Chemical Formula C10 H6 NO3 Average Molecular Weight 188.163 Monoisotopic Molecular Weight 188.035316637 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C10H7NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,12H,(H,13,14)/p-1/b9-6+
InChI Key FGAAMKTYLMBGNP-RMKNXTFCSA-M Chemical Taxonomy Description Belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxycinnamic acids are compounds containing an cinnamic acid where the benzene ring is hydroxylated. Kingdom Organic compounds Super Class Phenylpropanoids and polyketides Class Cinnamic acids and derivatives Sub Class Hydroxycinnamic acids and derivatives Direct Parent Hydroxycinnamic acids Alternative Parents Substituents Hydroxycinnamic acid
Coumaric acid or derivatives
Coumaric acid
Cinnamic acid
Alpha-amino acid or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Carboxylic acid salt
Monocarboxylic acid or derivatives
Organic isocyanide
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organic anion
Aromatic homomonocyclic compound Molecular Framework Aromatic homomonocyclic compounds External Descriptors Not Available Functional Ontology Not Available Physical Properties State Expected 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 2 Human
Exposure Sources Source Type Source Sub-type Species Data Source Reference 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 134160362 PDB ID Not Available ChEBI ID Not Available Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]
