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BioLiP

PDB CCD ID: E8W
Number of entries in BioLiP: 2
Chemical formula: C5 H13 O3 P
InChI: InChI=1S/C5H13O3P/c1-5(2)8-9(4,6)7-3/h5H,1-4H3/t9-/m0/s1
InChIKey: GDBDOLDINYFAKS-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)O[P@](=O)(C)OC
CACTVS 3.385CO[P](C)(=O)OC(C)C
OpenEye OEToolkits 2.0.6CC(C)OP(=O)(C)OC
CACTVS 3.385CO[P@](C)(=O)OC(C)C
Name:2-[methoxy(methyl)phosphoryl]oxypropane
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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