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D-Allothreonine

CAT: 0931-T67647-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T67647-02Size:1 g
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CAS Number
24830-94-2
Target
Endogenous Metabolite
Related Pathways
Metabolism
Purity
0.9994
Bioactivity
D-Allothreonine (D-allo-Thr) is a peptide lipid found in bacteria, used as an enzyme substrate.
Smiles
[C@@H]([C@@H](C)O)(C(O)=O)N
Molecular Formula
C4H9NO3
Molecular Weight
119.12
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-Allothreonine

D-allothreonine is the D-enantiomer of allothreonine. It occurs as a component of peptido-lipids in certain bacteria. It has a role as a bacterial metabolite. It is a D-alpha-amino acid and an allothreonine. It is an enantiomer of a L-allothreonine. It is a tautomer of a D-allothreonine zwitterion.

CAS Number24830-94-2
PubChem CID90624
IUPAC Name(2R,3R)-2-amino-3-hydroxybutanoic acid
Molecular FormulaC4H9NO3
Molecular Weight119.12
XLogP-2.9
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity93
SMILES
C[C@H]([C@H](C(=O)O)N)O
InChI
InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m1/s1
InChIKey
AYFVYJQAPQTCCC-PWNYCUMCSA-N
Chemical Structure
2D Structure
2D structure of D-Allothreonine
CAS: 24830-94-2
CID: 90624
Formula: C4H9NO3
MW: 119.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.12
XLogP3-2.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass119.058243149
Monoisotopic Mass119.058243149
Topological Polar Surface Area83.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity93.3
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