Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110623
Identification
Name: iminoarginine
Description:Not Available
Structure
Thumb
Synonyms:
an amino acid or its derivativean amino acida modified amino acid
Chemical Formula: C6H13N4O2 Average Molecular Weight: 174.1116757144Monoisotopic Molecular Weight: 174.1116757144InChI Key: YWGYOCPWFDUKSA-UHFFFAOYSA-OInChI: InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/p+1CAS number: Not AvailableIUPAC Name:Not Available Traditional IUPAC Name: Not AvailableSMILES:C(NC(N)=[N+])CCC(=[N+])C([O-])=O Chemical Taxonomy Taxonomy DescriptionThis compound belongs to the class of organic compounds known as fatty acids and conjugates. These are aliphatic monocarboxylic acids with a saturated or unsaturated aliphatic tail (with at least 4 Carbon atoms). Kingdom Organic compounds Super ClassLipids and lipid-like molecules Class Fatty Acyls Sub ClassFatty acids and conjugates Direct Parent Fatty acids and conjugates Alternative Parents Substituents Molecular Framework Aliphatic acyclic compoundsExternal Descriptors Not Available Physical PropertiesState: Not AvailableCharge:Not Available Melting point: Not AvailableExperimental Properties: Not AvailablePredicted Properties
PropertyValueSource
Mass169.1616ChemAxon
logP-2.4468ChemAxon
H-bond acceptors6ChemAxon
H-bond donors2ChemAxon
Rotatable bonds6ChemAxon
PSA78.1800ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity40.9626ChemAxon
Atoms21ChemAxon
Rings0ChemAxon
Heavy atoms12ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms6ChemAxon
N/O atoms6ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological PropertiesCellular Locations: Not AvailableReactions:
Pathways: