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Imidazole-5-propionic acid (Standard)

CAT: 0804-HY-W045271R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W045271R-01Size:5 mg
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Description
Imidazole-5-propionic acid is a histidine metabolite[1].
CAS Number
1074-59-5
Product Name Alternative
Imidazolepropionic acid (Standard)
UNSPSC
12352005
Target
Endogenous Metabolite
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Smiles
C(CC(=O)O)C1=CN=CN1
Molecular Formula
C6H8N2O2
Molecular Weight
140.14
References & Citations
[1]Wadud S, et, al. In vitro catabolism of histidine by mixed rumen bacteria and protozoa. Curr Microbiol. 2001 Jan;42 (1) :12-7.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

1H-Imidazole-5-propanoic acid

Dihydrourocanic acid is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group. It is a member of imidazoles and a monocarboxylic acid. It is functionally related to a propionic acid. It is a conjugate acid of a dihydrourocanate.

CAS Number1074-59-5
PubChem CID70630
IUPAC Name3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC6H8N2O2
Molecular Weight140.14
XLogP-0.3
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count10
Formal Charge0
Complexity127
SMILES
C1=C(NC=N1)CCC(=O)O
InChI
InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-4-8-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChIKey
ZCKYOWGFRHAZIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-Imidazole-5-propanoic acid
CAS: 1074-59-5
CID: 70630
Formula: C6H8N2O2
MW: 140.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight140.14
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass140.058577502
Monoisotopic Mass140.058577502
Topological Polar Surface Area66 Ų
Heavy Atom Count10
Formal Charge0
Complexity127
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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