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BioLiP

PDB CCD ID: UCJ
Number of entries in BioLiP: 5
Chemical formula: C4 H11 O3 P
InChI: InChI=1S/C4H11O3P/c1-4(2)7-8(3,5)6/h4H,1-3H3,(H,5,6)
InChIKey: GHZKGHQGPXBWSN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(OC(C)C)(O)C
CACTVS 3.385CC(C)O[P](C)(O)=O
OpenEye OEToolkits 2.0.7CC(C)OP(=O)(C)O
Name:propan-2-yl hydrogen (S)-methylphosphonate
ZINC: ZINC000001565221
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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