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BioLiP

PDB CCD ID: O2U
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O5
InChI: InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1
InChIKey: SQPSXVPPAZXZCA-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@H](C(=O)N(C1=O)O)CC(=O)O
ACDLabs 12.01O=C1C(CC(=O)O)CC(=O)N1O
OpenEye OEToolkits 2.0.7C1C(C(=O)N(C1=O)O)CC(=O)O
CACTVS 3.385ON1C(=O)C[C@@H](CC(O)=O)C1=O
CACTVS 3.385ON1C(=O)C[CH](CC(O)=O)C1=O
Name:[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic 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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