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BioLiP

PDB CCD ID: 4OX
Number of entries in BioLiP: 3
Chemical formula: C10 H16 O5
InChI: InChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKey: XTQIBFVBYWIHIP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC(=O)CCCCCC(=O)O
CACTVS 3.341OC(=O)CCCCCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CCC(=O)CCC(=O)O)CCC(=O)O
Name:4-OXODECANEDIOIC ACID;
4-OXOSEBACIC ACID
DrugBank: DB02260
ZINC: ZINC000003074811
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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