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BioLiP

PDB CCD ID: 0L1
Number of entries in BioLiP: 7
Chemical formula: C6 H10 O4
InChI: InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey: WNLRTRBMVRJNCN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCCCC(=O)O
OpenEye OEToolkits 1.7.6C(CCC(=O)O)CC(=O)O
CACTVS 3.370OC(=O)CCCCC(O)=O
Name:hexanedioic acid;
Adipic acid
ChEMBL: CHEMBL1157
ZINC: ZINC000001530348
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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