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BioLiP

PDB CCD ID: BR5
Number of entries in BioLiP: 1
Chemical formula: C4 H10 O3 P
InChI: InChI=1S/C4H11O3P/c1-2-7-3-4-8(5)6/h8H,2-4H2,1H3,(H,5,6)/p-1
InChIKey: XCMXNBBWZYFHSD-UHFFFAOYSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCOCCP(=O)[O-]
ACDLabs 10.04[O-]P(=O)CCOCC
OpenEye OEToolkits 1.5.0CCOCC[P@H](=O)[O-]
CACTVS 3.341CCOCC[PH]([O-])=O
Name:2-ETHOXYETHYLPHOSPHINATE
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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