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BioLiP

PDB CCD ID: U69
Number of entries in BioLiP: 2
Chemical formula: C7 H13 O4 P
InChI: InChI=1S/C7H13O4P/c8-12(9,10)11-6-5-7-3-1-2-4-7/h5H,1-4,6H2,(H2,8,9,10)
InChIKey: MQWCTBTVDHAUFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)OCC=C1CCCC1
ACDLabs 12.01O=P(O)(O)OC\C=C1\CCCC1
OpenEye OEToolkits 2.0.7C1CCC(=CCOP(=O)(O)O)C1
Name:2-cyclopentylideneethyl dihydrogen phosphate
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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