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BioLiP

PDB CCD ID: ZGM
Number of entries in BioLiP: 6
Chemical formula: C7 H10 O6
InChI: InChI=1S/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)/t4-/m0/s1
InChIKey: HNOAJOYERZTSNK-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH](CCC(O)=O)CC(=O)C(O)=O
CACTVS 3.385O[C@@H](CCC(O)=O)CC(=O)C(O)=O
ACDLabs 12.01O=C(CC(O)CCC(O)=O)C(=O)O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(CC(=O)C(=O)O)O
Name:(4S)-4-hydroxy-2-oxoheptanedioic 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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