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Oxalomalic acid trisodium

CAT: 0931-T84511-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84511-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89304-26-7
Target
Others, Isocitrate Dehydrogenase (IDH)
Related Pathways
Others, Metabolism
Bioactivity
Oxalomalic acid (Oxalomalate) trisodium, an inhibitor of aconitase and NADP-dependent isocitrate dehydrogenase, suppresses nitrite production and inducible nitric oxide synthase (iNOS) protein expression in lipopolysaccharide-activated J774 macrophages [1].
Smiles
C(C(C(O)=O)O)(C(C(O)=O)=O)C(O)=O.[Na]
Molecular Formula
C6H3Na3O8
Molecular Weight
272.05
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Oxalomalic acid sodium salt
CAS Number89304-26-7
PubChem CID24941211
IUPAC Nametrisodium;1-hydroxy-3-oxopropane-1,2,3-tricarboxylate
Molecular FormulaC6H3Na3O8
Molecular Weight272.05
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity276
SMILES
C(C(C(=O)[O-])O)(C(=O)C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
InChI
InChI=1S/C6H6O8.3Na/c7-2(5(11)12)1(4(9)10)3(8)6(13)14;;;/h1-2,7H,(H,9,10)(H,11,12)(H,13,14);;;/q;3*+1/p-3
InChIKey
WSDSCXNEGCRTMS-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Oxalomalic acid sodium salt
CAS: 89304-26-7
CID: 24941211
Formula: C6H3Na3O8
MW: 272.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.05
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass271.95209990
Monoisotopic Mass271.95209990
Topological Polar Surface Area158 Ų
Heavy Atom Count17
Formal Charge0
Complexity276
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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