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BioLiP Library

PDB CCD ID: 6GT
Number of entries in BioLiP: 1
Chemical formula: C7 H10 O5
InChI: InChI=1S/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
InChIKey: HABHUTWTLGRDDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(CCCCC(C(=O)O)=O)O
CACTVS 3.385OC(=O)CCCCC(=O)C(O)=O
OpenEye OEToolkits 2.0.4C(CCC(=O)O)CC(=O)C(=O)O
Name:2-oxoheptanedioic acid;
2-Ketopimelic acid
ChEMBL: CHEMBL185075
ZINC: ZINC000002508023
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)(download the PDF file).
  • 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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