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BioLiP

PDB CCD ID: C11
Number of entries in BioLiP: 4
Chemical formula: C15 H33 O2 P
InChI: InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
InChIKey: QCBLJDSWVGAXQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC[PH](=O)OCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCP(=O)OCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCC[P@H](=O)OCCCC
ACDLabs 10.04O=P(OCCCC)CCCCCCCCCCC
Name:UNDECYL-PHOSPHINIC ACID BUTYL ESTER
DrugBank: DB02457
ZINC: ZINC000014880356
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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