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

AlkaPlorer ID: AK013059

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

IUPAC Name: (2S,3R)-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-NHYDCYSISA-N

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Reference

PubChem CID: 14463

CAS: 1186-90-9

SuperNatural Ⅲ: SN0463675-04

NPASS: NPC43169

Source

Species Genus Family Order Class Phylum Kingdom Domain
Eucommia ulmoides Eucommia Eucommiaceae Garryales Magnoliopsida Streptophyta Viridiplantae Eukaryota

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 Serine racemase Ki 11000.0 nM 10.1016/j.bmcl.2014.07.003

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017720 NCC(=O)O.O=CC(=O)O>>N[C@H](C(=O)O)[C@@H](O)C(=O)O RXN-11769
AKRT020163 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>N/C(C(=O)O)=C(/O)C(=O)O enzymemap_22023
AKRT020164 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>NCC(=O)C(=O)O enzymemap_6557
AKRT020165 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>NCC(=O)O enzymemap_83277
AKRT020166 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>N[C@@H](CO)C(=O)O enzymemap_81525
AKRT020167 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>O=C(O)CC(=O)C(=O)O 4.3.1.20-RXN
AKRT020168 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>O=C=O enzymemap_6557
AKRT020169 N[C@H](C(=O)O)[C@@H](O)C(=O)O>>O=CC(=O)O enzymemap_83277