Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-11-18 00:02:35 UTC Update Date 2022-08-31 17:43:28 UTC MiMeDB ID MMDBc0030305 Metabolite Identification Common Name 2-Aminomalonate semialdehyde Description 2-Aminomalonate semialdehyde is an organic compound that can be formed from a reaction between NADP+ and L-serine. (EcoCyc) Structure Synonyms Value Source 2-Ammoniomalonate semialdehyde ChEBI L-alpha-Formylglycine ChEBI 2-Ammoniomalonic acid semialdehyde Generator L-a-Formylglycine Generator L-Α-formylglycine Generator 2-Aminomalonic acid semialdehyde Generator 2-Aminomalonate semialdehyde ChEBI C(alpha)-Formylglycine MeSH 3-oxo-L-Alanine MeSH 2-Amino-3-oxopropanoic acid MeSH alpha-Formylglycine MeSH 3-Oxoalanine MeSH
Chemical Formula C3 H5 NO3 Average Molecular Weight 103.0767 Monoisotopic Molecular Weight 103.026943031 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number 5735-66-0 SMILES Not Available InChI Identifier InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)/t2-/m0/s1
InChI Key XMTCKNXTTXDPJX-REOHCLBHSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Kingdom Organic compounds Super Class Organic acids and derivatives Class Carboxylic acids and derivatives Sub Class Amino acids, peptides, and analogues Direct Parent L-alpha-amino acids Alternative Parents Substituents L-alpha-amino acid
1,3-dicarbonyl compound
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Aldehyde
Carbonyl group
Amine
Organopnictogen compound
Organic oxide
Aliphatic acyclic compound Molecular Framework Aliphatic acyclic compounds External Descriptors 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 Fungi Ascomycota 1 Human Feces Unknown
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 C11822 BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 443424 PDB ID Not Available ChEBI ID 37012 Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
