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BioLiP

PDB CCD ID: DOH
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O5
InChI: InChI=1/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/f/h7,9H
InChIKey: YYLQUHNPNCGKJQ-DIZWFQAUDX
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@H]([C@@H](C(=O)O)O)(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)C(O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)O)(C(=O)O)N
CACTVS 3.341N[C@@H]([C@H](O)C(O)=O)C(O)=O
CACTVS 3.341N[CH]([CH](O)C(O)=O)C(O)=O
Name:BETA-HYDROXY ASPARTIC ACID
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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