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BioLiP Library

PDB CCD ID: JQ5
Number of entries in BioLiP: 8
Chemical formula: C6 H11 O6 P
InChI: InChI=1S/C6H11O6P/c1-2-12-13(10,11)6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)(H,10,11)
InChIKey: YEJCRQSMXRSGOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCO[P](O)(=O)C(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7CCOP(=O)(C(=O)CCC(=O)O)O
Name:4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanylidene-butanoic 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)(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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