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D-threoninium

AlkaPlorer ID: AK003047

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: (2R,3R)-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-/m1/s1

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InChIKey: AYFVYJQAPQTCCC-PWNYCUMCSA-N

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Reference

None

PubChem CID: 90624

CAS: 144-98-9

LOTUS: LTS0116889

SuperNatural Ⅲ: SN0018594-03

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 100.0 ug.mL-1 10.1016/S0960-894X(01)81041-6
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004570 CC(=O)[CoA].C[C@@H](O)[C@@H](N)C(=O)O>>CC(=O)N[C@@H](C(=O)O)[C@@H](C)O enzymemap_30760
AKRT005568 CC(C)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](C(=O)O)[C@@H](C)O)[C@@H](C)O>>C[C@@H](O)[C@@H](N)C(=O)O enzymemap_74767
AKRT005574 CC(C)C[C@@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.C[C@@H](N)C(=O)O.C[C@@H](O)[C@@H](N)C(=O)O.O=C(O)[C@@H]1CCCN1>>CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]2CC[C@H]3O[C@H](C)[C@@H](NC1=O)C(=O)N23 72047
AKRT005587 CC(C)C[C@@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)[C@@H](C)O)C(=O)O>>C[C@@H](O)[C@@H](N)C(=O)O enzymemap_74767
AKRT007053 CC=O.NCC(=O)O>>C[C@@H](O)[C@@H](N)C(=O)O RXN-9702
AKRT012738 C[C@@H](N)C(=O)O.C[C@@H](O)[C@@H](N)C(=O)O>>C[C@@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)O enzymemap_90671
AKRT012844 C[C@@H](O)[C@@H](N)C(=O)O.C[C@@H](O)[C@@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>C[C@@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O None
AKRT012845 C[C@@H](O)[C@@H](N)C(=O)O.C[C@@H](O)[C@@H](N)C(=O)O>>C[C@@H](O)[C@@H](N)C(=O)N[C@@H](C(=O)O)[C@@H](C)O enzymemap_90703
AKRT012846 C[C@@H](O)[C@@H](N)C(=O)O>>CC(=O)[C@@H](N)C(=O)O enzymemap_687
AKRT012847 C[C@@H](O)[C@@H](N)C(=O)O>>CC(O)C(=O)C(=O)O enzymemap_22374
AKRT012848 C[C@@H](O)[C@@H](N)C(=O)O>>CC=O enzymemap_82768
AKRT012849 C[C@@H](O)[C@@H](N)C(=O)O>>CC=O.NCC(=O)O None
AKRT012850 C[C@@H](O)[C@@H](N)C(=O)O>>CCC(=O)C(=O)O enzymemap_85543
AKRT012851 C[C@@H](O)[C@@H](N)C(=O)O>>C[C@@H](O)[C@H](N)C(=O)O None
AKRT012852 C[C@@H](O)[C@@H](N)C(=O)O>>NCC(=O)O enzymemap_82768
AKRT012857 C[C@@H](O)[C@@H](NC(=O)c1ccccc1)C(=O)O>>C[C@@H](O)[C@@H](N)C(=O)O enzymemap_77176
AKRT012962 C[C@@H](O)[C@H](N)C(=O)O>>C[C@@H](O)[C@@H](N)C(=O)O None