2-Amino-3-hydroxybutanedioic acid; (2S,3S)-form 

AlkaPlorer ID: AK285765

Synonym: L-threo-form 

IUPAC Name: 2-amino-3-hydroxybutanedioic acid

Structure

SMILES: NC(C(=O)O)C(O)C(=O)O

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InChI: InChI=1S/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)

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InChIKey: YYLQUHNPNCGKJQ-UHFFFAOYSA-N

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Reference

PubChem CID: 5425

CAS: 7298-99-9

NPASS: NPC327895

COCONUT: CNP0233335.4

Properties Information

Molecule Weight: 149.10199999999998

TPSA: 120.85

MolLogP: -2.1562

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 70.17 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 82.91 % 10.1124/mol.112.084152

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017338 NC(C(=O)O)C(O)C(=O)O>>NCC(=O)O enzymemap_83405
AKRT017339 NC(C(=O)O)C(O)C(=O)O>>NCC(=O)O.O=CC(=O)O None
AKRT017340 NC(C(=O)O)C(O)C(=O)O>>N[C@@H](C(=O)O)[C@@H](O)C(=O)O enzymemap_86944
AKRT017341 NC(C(=O)O)C(O)C(=O)O>>N[C@H](C(=O)O)[C@H](O)C(=O)O enzymemap_86944
AKRT017342 NC(C(=O)O)C(O)C(=O)O>>O=C(O)CC(=O)C(=O)O enzymemap_85602
AKRT017343 NC(C(=O)O)C(O)C(=O)O>>O=CC(=O)O enzymemap_83405
AKRT017717 NCC(=O)O.O=CC(=O)O>>NC(C(=O)O)C(O)C(=O)O enzymemap_83405