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BioLiP

PDB CCD ID: BH2
Number of entries in BioLiP: 4
Chemical formula: C4 H7 N O5
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
InChIKey: YYLQUHNPNCGKJQ-NHYDCYSISA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0[C@H]([C@H](C(=O)O)O)(C(=O)O)N
OpenEye OEToolkits 1.7.0C(C(C(=O)O)O)(C(=O)O)N
CACTVS 3.370N[C@@H]([C@@H](O)C(O)=O)C(O)=O
CACTVS 3.370N[CH]([CH](O)C(O)=O)C(O)=O
Name:(3R)-3-hydroxy-L-aspartic acid
ChEMBL: CHEMBL3317781
DrugBank: DB03640
ZINC: ZINC000000901877
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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