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BioLiP Library

PDB CCD ID: H23
Number of entries in BioLiP: 2
Chemical formula: C12 H28 O7 P2
InChI: InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19)
InChIKey: KKVZONPEMODBBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(O)(P(=O)(O)O)P(=O)(O)O
ACDLabs 10.04O=P(O)(O)C(O)(CCCCCCCCCCC)P(=O)(O)O
CACTVS 3.341CCCCCCCCCCCC(O)([P](O)(O)=O)[P](O)(O)=O
Name:(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)
ChEMBL: CHEMBL416301
DrugBank: DB07873
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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