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Citric acid-13C2

CAT: 0931-T211892-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T211892-01Size:10 mg
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CAS Number
224054-26-6
Target
Others, Endogenous Metabolite, Apoptosis, Antibacterial
Related Pathways
Others, Metabolism, Microbiology/Virology, Apoptosis
Bioactivity
Citric acid-13C2 is a 13C-labeled form of citric acid. Citric acid serves as a preservative and food additive. It induces apoptosis in HaCaT cells and causes cell cycle arrest at the G2/M and S phases. Additionally, citric acid contributes to liver oxidative damage by reducing antioxidant enzyme activity. It also functions as an acidulant, emulsifier, chelating agent, and buffer, with extensive applications across multiple industries.
Smiles
C(C[13C](O)=O)(C[13C](O)=O)(C(O)=O)O
Molecular Formula
C6H8O7
Molecular Weight
194.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Citric acid-1,5-13C2
CAS Number224054-26-6
PubChem CID10313505
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC6H8O7
Molecular Weight194.11
XLogP-1.7
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity227
SMILES
C([13C](=O)O)C(C[13C](=O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i3+1,4+1
InChIKey
KRKNYBCHXYNGOX-CQDYUVAPSA-N
Chemical Structure
2D Structure
2D structure of Citric acid-1,5-13C2
CAS: 224054-26-6
CID: 10313505
Formula: C6H8O7
MW: 194.11
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight194.11
XLogP3-1.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass194.03371226
Monoisotopic Mass194.03371226
Topological Polar Surface Area132 Ų
Heavy Atom Count13
Formal Charge0
Complexity227
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes