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D-threoninium

AlkaPlorer ID: AK003044

Synonym: '', '(2S)-threonine', 'D-threonine', 'L-(-)-Threonine', 'allo-L-threonine', 'L-threonine cation', 'L-alpha-amino-beta-hydroxybutyric acid', 'D-threonine anion', 'T', '(1S,2R)-1-carboxy-2-hydroxypropan-1-aminium', 'L-Threonine', '(2S,3R)-(-)-Threonine', '(2S,3S)-2-amino-3-hydroxybutanoic acid', '(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium', '(2R,3S)-2-amino-3-hydroxybutanoate', 'L-Thr', 'D-threonine cation', '(2S,3R)-2-amino-3-hydroxybutanoate', 'L-Allothreonine', 'L-allothreonine', 'D-THREONINE', 'L-threoninium', 'Thr', 'D-2-Amino-3-hydroxybutyric acid', 'L-2-Amino-3-hydroxybutyric acid', 'L-threonine', 'L-Threonin', '2-Amino-3-hydroxybutyric acid', 'ALLO-THREONINE', 'L-threoninate', 'D-threoninate', 'L-allo-Threonine', 'D-Threonin', '(2S,3R)-2-amino-3-hydroxybutanoic acid', 'D-Threonine', '(2R,3S)-2-amino-3-hydroxybutanoic acid', 'L-threonine anion', 'DTH', 'THREONINE'

IUPAC Name: (2S,3S)-2-amino-3-hydroxybutanoic acid

Structure

SMILES: C[C@H](O)[C@H](N)C(=O)O

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InChI: InChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3-/m0/s1

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InChIKey: AYFVYJQAPQTCCC-HRFVKAFMSA-N

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Properties Information

Molecule Weight: 119.12

TPSA？: 83.55

MolLogP？: -1.2208999999999997

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Mus musculus L1210 IC50 2.8 ug.mL-1 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus Body weight 21.3 g 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus Body weight 21.7 g 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus Body weight 22.0 g 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus Body weight 22.7 g 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus T/C 114.0 % 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus T/C 122.0 % 10.1016/S0960-894X(01)81041-6
Mus musculus Mus musculus T/C 170.0 % 10.1016/S0960-894X(01)81041-6
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
None No relevant target Rf 0.41 None 10.1021/jm00224a031
None Unchecked Inhibition 53.0 % 10.1016/s0960-894x(99)00297-8

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006655 CC(OP(=O)(O)O)C(N)C(=O)O>>C[C@H](O)[C@H](N)C(=O)O enzymemap_55235
AKRT007056 CC=O.NCC(=O)O>>C[C@H](O)[C@H](N)C(=O)O R06171
AKRT012326 CSCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](C)O>>C[C@H](O)[C@H](N)C(=O)O enzymemap_65234
AKRT012993 C[C@@H](OP(=O)(O)O)[C@H](N)C(=O)O>>C[C@H](O)[C@H](N)C(=O)O enzymemap_55291
AKRT013931 C[C@H](O)[C@H](N)C(=O)O.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>C[C@H](O)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_32825
AKRT013932 C[C@H](O)[C@H](N)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O>>C[C@H](O)[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O enzymemap_90518
AKRT013933 C[C@H](O)[C@H](N)C(=O)O>>CC(=O)CN enzymemap_4742
AKRT013934 C[C@H](O)[C@H](N)C(=O)O>>CC(=O)[C@H](N)C(=O)O R10851
AKRT013935 C[C@H](O)[C@H](N)C(=O)O>>CC=O R06171
AKRT013936 C[C@H](O)[C@H](N)C(=O)O>>CC=O.NCC(=O)O None
AKRT013937 C[C@H](O)[C@H](N)C(=O)O>>CCC(=O)C(=O)O enzymemap_85550
AKRT013938 C[C@H](O)[C@H](N)C(=O)O>>NCC(=O)O R06171
AKRT013939 C[C@H](O)[C@H](N)C(=O)O>>O=C=O enzymemap_4742
AKRT013940 C[C@H](O)[C@H](NC(=O)CCl)C(=O)O>>C[C@H](O)[C@H](N)C(=O)O enzymemap_76625