MiMeDB: Showing metabocard for 2-Aminomalonate semialdehyde (MMDBc0030305)

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

Metabolite 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

MOL SDF PDB SMILES InChI

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

Molecular Formula

C₃H₅NO₃

Average Mass

103.0767

Monoisotopic Mass

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

non-proteinogenic L-alpha-amino acid (CHEBI:37012 )
L-alanine derivative (CHEBI:37012 )
3-oxoalanine (CHEBI:37012 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

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

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal	Unknown
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

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

CMMC Knowledgebase

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 ]

Showing metabocard for 2-Aminomalonate semialdehyde (MMDBc0030305)

MOL for #<Metabolite:0x00007f12410d5980>

3D MOL for #<Metabolite:0x00007f12410d5980>

3D SDF for #<Metabolite:0x00007f12410d5980>

3D-SDF for #<Metabolite:0x00007f12410d5980>

PDB for #<Metabolite:0x00007f12410d5980>

3D PDB for #<Metabolite:0x00007f12410d5980>

SMILES for #<Metabolite:0x00007f12410d5980>

INCHI for #<Metabolite:0x00007f12410d5980>

Structure for #<Metabolite:0x00007f12410d5980>

3D Structure for #<Metabolite:0x00007f12410d5980>