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BioLiP Library

PDB CCD ID: 87O
Number of entries in BioLiP: 2
Chemical formula: C16 H33 O5 P
InChI: InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)
InChIKey: KUIJPSLAGAQZTC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)O[P](O)(O)=O
Name:phosphono hexadecanoate
ZINC: ZINC000116928535
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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