P. aeruginosa Metabolome Database: formyl-L-isoglutamine (PAMDB110627)

Identification Taxonomy Physical Properties Biological Properties Spectra Concentrations Links References Enzymes Transporters

Proteins (3280)

Record Information
Version	1.0
Update Date	1/22/2018 11:54:54 AM
Metabolite ID	PAMDB110627
Identification
Name:	formyl-L-isoglutamine
Description:	Not Available
Structure	🔍MOL SDF PDB SMILES InChI View Structure Structure for formyl-L-isoglutamine (PAMDB110627)
Synonyms:	carboxylic acid carboxylate' WIDTH 248);" onmouseout="return nd();">a carboxylate → an amino acid → a modified amino acid → an N-modified amino acid → an N-acylated amino acid → an N-acylated-L-amino acid → an N-alpha-acylated L-amino acid
	an acid → all carboxy acids → a carboxylate → an amino acid → an L-amino acid → an N-acylated-L-amino acid → an N-alpha-acylated L-amino acid
	an amino acid or its derivative → an amino acid → a modified amino acid → an N-modified amino acid → an N-acylated amino acid → an N-acylated-L-amino acid → an N-alpha-acylated L-amino acid
	an amino acid or its derivative → an amino acid → an L-amino acid → an N-acylated-L-amino acid → an N-alpha-acylated L-amino acid

Chemical Formula: C₆H₉N₂O₄ Average Molecular Weight: 174.0640568198Monoisotopic Molecular Weight: 174.0640568198InChI Key: WLTXUKAQFBTJKS-BYPYZUCNSA-MInChI: InChI=1S/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)/p-1/t4-/m0/s1CAS number: Not AvailableIUPAC Name:Not Available Traditional IUPAC Name: Not AvailableSMILES:C(=O)NC(C(N)=O)CCC([O-])=O Chemical Taxonomy Taxonomy DescriptionThis compound belongs to the class of organic compounds known as glutamic acid and derivatives. These are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Kingdom Organic compounds Super ClassOrganic acids and derivatives Class Carboxylic acids and derivatives Sub ClassAmino acids, peptides, and analogues Direct Parent Glutamic acid and derivatives Alternative Parents

Substituents

Glutamic acid or derivatives
N-formyl-alpha-amino acid
N-formyl-alpha amino acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
Carboxamide group
Primary carboxylic acid amide
Secondary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic anion
Aliphatic acyclic compound

Molecular Framework Aliphatic acyclic compoundsExternal Descriptors

a small molecule (FORMYL-ISOGLUTAMINE)

Physical PropertiesState: Not AvailableCharge:Not Available Melting point: Not AvailableExperimental Properties: Not AvailablePredicted Properties

Property	Value	Source
3D Conformer	90659030	PubChem
Molecular Weight	173.148 g/mol	PubChem
XLogP3-AA	-1	PubChem
Hydrogen Bond Donor Count	2	PubChem
Hydrogen Bond Acceptor Count	4	PubChem
Rotatable Bond Count	4	PubChem
Exact Mass	173.056 g/mol	PubChem
Monoisotopic Mass	173.056 g/mol	PubChem
Topological Polar Surface Area	112 A^2	PubChem
Heavy Atom Count	12	PubChem
Formal Charge	-1	PubChem
Complexity	187	PubChem
Isotope Atom Count	0	PubChem
Defined Atom Stereocenter Count	1	PubChem
Undefined Atom Stereocenter Count	0	PubChem
Defined Bond Stereocenter Count	0	PubChem
Undefined Bond Stereocenter Count	0	PubChem
Covalently-Bonded Unit Count	1	PubChem

Biological PropertiesCellular Locations: Not AvailableReactions:

Pathways:

Not Available

Resource	Link
KEGG	C16674
PubChem	90659030

formyl-L-isoglutamine (PAMDB110627)

Structure for formyl-L-isoglutamine (PAMDB110627)