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DL-threo-2-methylisocitrate

CAT: 0013-GTR19202731-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202731-01Size:50 mg
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Description
DL-threo-2-methylisocitrate is a substrate for isocitrate lyase 1 (ICL1) . Kinetic analysis shows it has a Km approximately four times higher and a kcat of 1.25 s−1 compared to the native substrate isocitrate. This compound is used in vitro to study the glyoxylate shunt in pathogens and plants, aiding metabolic research.
CAS Number
71183-66-9
Smiles
[C@@H] ([C@@] (C (O) =O) (C) O) (CC (O) =O) C (O) =O
Molecular Formula
C7H10O7
Molecular Weight
206.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid

(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid is a 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate.

CAS Number71183-66-9
PubChem CID5459784
IUPAC Name(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
Molecular FormulaC7H10O7
Molecular Weight206.15
XLogP-1.6
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity271
SMILES
C[C@@]([C@H](CC(=O)O)C(=O)O)(C(=O)O)O
InChI
InChI=1S/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t3-,7-/m1/s1
InChIKey
HHKPKXCSHMJWCF-WVBDSBKLSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid
CAS: 71183-66-9
CID: 5459784
Formula: C7H10O7
MW: 206.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight206.15
XLogP3-1.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass206.04265265
Monoisotopic Mass206.04265265
Topological Polar Surface Area132 Ų
Heavy Atom Count14
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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