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Isocitric acid (Standard)

CAT: 0804-HY-113228R-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113228R-01Size:1 mg
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Description
Isocitric acid (Standard) is the analytical standard of Isocitric acid. This product is intended for research and analytical applications. Isocitric acid is an endogenous metabolite present in Saliva and Cellular_Cytoplasm that can be used for the research of Alzheimer's Disease, Lewy Body Dementia and Anoxia.
CAS Number
320-77-4
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Endogenous Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Purity
99.91
Smiles
OC(C(CC(O)=O)C(O)=O)C(O)=O
Molecular Formula
C6H8O7
Molecular Weight
192.12
Precautions
H315, H319, H335
Shipping Conditions
Room Temperature
Storage Conditions
4°C, sealed storage, away from light and moisture
Scientific Category
Reference Standards
Clinical Information
No Development Reported

Chemical Information

Isocitric Acid

Isocitric acid is a tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. It has a role as a fundamental metabolite. It is a tricarboxylic acid and a secondary alcohol. It is a conjugate acid of an isocitrate(1-).

CAS Number320-77-4
PubChem CID1198
IUPAC Name1-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC6H8O7
Molecular Weight192.12
XLogP-1.8
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity233
SMILES
C(C(C(C(=O)O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey
ODBLHEXUDAPZAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isocitric Acid
CAS: 320-77-4
CID: 1198
Formula: C6H8O7
MW: 192.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.12
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass192.02700259
Monoisotopic Mass192.02700259
Topological Polar Surface Area132 Ų
Heavy Atom Count13
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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