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(3S)-3-hydroxy-L-aspartic acid

AlkaPlorer ID: AK013058

Synonym: 'DL-threo-beta-Hydroxyaspartic acid', 'L-threo-beta-Hydroxyaspartic acid', 'L-threo-3-Hydroxyaspartic acid', 'NSC 139979'

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

Structure

SMILES: N[C@H](C(=O)O)[C@H](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)/t1-,2-/m0/s1

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InChIKey: YYLQUHNPNCGKJQ-LWMBPPNESA-N

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Reference

PubChem CID: 443239

CAS: 1860-87-3

SuperNatural Ⅲ: SN0463675-03

NPASS: NPC112224

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
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 3548.1 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 3548.1 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 4107.8 nM None
Homo sapiens Bloom syndrome protein Potency 28.2 nM None
Homo sapiens Cytochrome P450 1A2 AC50 39810.72 nM None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 31.62 nM None
Homo sapiens Cytochrome P450 3A4 Potency 31.6 nM None
Homo sapiens Excitatory amino acid transporter 1 IC50 3890.45 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Excitatory amino acid transporter 1 IC50 3900.0 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Excitatory amino acid transporter 2 IC50 9549.93 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Excitatory amino acid transporter 2 IC50 9600.0 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Excitatory amino acid transporter 3 IC50 9549.93 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Excitatory amino acid transporter 3 IC50 9600.0 nM 10.1021/acs.jmedchem.8b00700
Homo sapiens Histone acetyltransferase GCN5 Potency 35481.3 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 26679.5 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 12589.3 nM None
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 19011.5 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 50118.7 nM None
Rattus norvegicus Excitatory amino acid transporter 4 IC50 2800.0 nM 10.1021/acs.jmedchem.8b00700
Rattus norvegicus Excitatory amino acid transporter 4 IC50 2818.38 nM 10.1021/acs.jmedchem.8b00700
None Unchecked Potency 3981.1 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Potency 14125.4 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017341 NC(C(=O)O)C(O)C(=O)O>>N[C@H](C(=O)O)[C@H](O)C(=O)O enzymemap_86944
AKRT018582 N[C@@H](C(=O)O)[C@@H](O)C(=O)O>>N[C@H](C(=O)O)[C@H](O)C(=O)O enzymemap_86943
AKRT020173 N[C@H](C(=O)O)[C@H](O)C(=O)O>>NCC(=O)C(=O)O enzymemap_6557
AKRT020174 N[C@H](C(=O)O)[C@H](O)C(=O)O>>N[C@@H](C(=O)O)[C@@H](O)C(=O)O enzymemap_86943
AKRT020175 N[C@H](C(=O)O)[C@H](O)C(=O)O>>N[C@@H](CO)C(=O)O enzymemap_81524
AKRT020176 N[C@H](C(=O)O)[C@H](O)C(=O)O>>N[C@H](C(=O)O)[C@H](O)C(=O)O None
AKRT020177 N[C@H](C(=O)O)[C@H](O)C(=O)O>>O=C(O)CC(=O)C(=O)O 4.3.1.16-RXN
AKRT020178 N[C@H](C(=O)O)[C@H](O)C(=O)O>>O=C=O enzymemap_6557
AKRT022687 O=C(O)CC(=O)C(=O)O>>N[C@H](C(=O)O)[C@H](O)C(=O)O 4.3.1.16-RXN