2-iminoacetate (PAMDB003545)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB003545
Identification
Name: 2-iminoacetate
Description:The 1,2-didehydro derivative of glycine
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 2-Iminoacetic acid
  • Iminoacetate
  • Iminoacetic acid
  • Iminoglycine
Chemical Formula: C2H3NO2
Average Molecular Weight: 73.0507
Monoisotopic Molecular Weight: 73.016378345
InChI Key: TVMUHOAONWHJBV-UHFFFAOYSA-N
InChI:InChI=1S/C2H3NO2/c3-1-2(4)5/h1,3H,(H,4,5)
CAS number: Not Available
IUPAC Name:2-iminoacetic acid
Traditional IUPAC Name: iminoacetic acid
SMILES:OC(=O)C=N
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as aldimines. These are organic compounds containing the aldimine functional group.
Kingdom Organic compounds
Super ClassOrganonitrogen compounds
Class Imines
Sub ClassAldimines
Direct Parent Aldimines
Alternative Parents
Substituents
  • Aldimine
  • Primary aldimine
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility6.46 mg/mLALOGPS
logP-1ALOGPS
logP-0.77ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)3.93ChemAxon
pKa (Strongest Basic)3.27ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area61.15 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity25.97 m3·mol-1ChemAxon
Polarizability5.88 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
1-Deoxy-D-xylulose 5-phosphate + 2-iminoacetate + thiocarboxy-adenylate-[sulfur-carrier protein ThiS] > 2-((2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate + [sulfur-carrier protein ThiS] +2 Water
L-Tyrosine + S-Adenosylmethionine + NADPH <> 2-iminoacetate + p-Cresol + 5'-Deoxyadenosine + L-Methionine + NADP + Hydrogen ion
1-Deoxy-D-xylulose 5-phosphate + 2-iminoacetate <> 2-[(2R,5Z)-2-Carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate +2 Water
L-Tyrosine + NADPH + S-adenosyl-L-methionine + L-Tyrosine + NADPH > Hydrogen ion + NADP + L-Methionine + 5'-Deoxyadenosine + p-Cresol + 2-iminoacetate
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-17a306b678cbbc127588View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-056r-9000000000-ba8236945629be335debView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a6r-9000000000-7705d619ffb42cf994f8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00di-9000000000-daf7fce7782fdd907ac5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-00di-9000000000-40812d524e443382f243View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0fk9-9000000000-907a33f236714fb0e74eView in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID53647
HMDB IDNot Available
Pubchem Compound ID3080609
Kegg IDC15809
ChemSpider ID13375419
Wikipedia IDNot Available
BioCyc IDNot Available