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BioLiP

PDB CCD ID: XQY
Number of entries in BioLiP: 20
Chemical formula: C11 H26 N O3 P
InChI: InChI=1S/C11H26NO3P/c1-3-5-8-12(9-6-4-2)10-7-11-16(13,14)15/h3-11H2,1-2H3,(H2,13,14,15)
InChIKey: XATRQYYMOIGUKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCN(CCCC)CCC[P](O)(O)=O
ACDLabs 12.01C(CCP(O)(O)=O)N(CCCC)CCCC
OpenEye OEToolkits 2.0.7CCCCN(CCCC)CCCP(=O)(O)O
Name:[3-(dibutylamino)propyl]phosphonic 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).
  • 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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