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BioLiP

PDB CCD ID: 6E0
Number of entries in BioLiP: 3
Chemical formula: C18 H39 O3 P
InChI: InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey: FTMKAMVLFVRZQX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCCCCCCCCCCCCCCCCCP(=O)(O)O
ACDLabs 12.01C(CCCCCCCCCCCCCC)CCCP(O)(=O)O
CACTVS 3.385CCCCCCCCCCCCCCCCCC[P](O)(O)=O
Name:octadecylphosphonic acid
ChEMBL: CHEMBL190741
ZINC: ZINC000006921200
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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