SEQ2FUN

BioLiP

PDB CCD ID: CVX
Number of entries in BioLiP: 1
Chemical formula: C5 H13 O3 P
InChI: InChI=1S/C5H13O3P/c1-3-4-5-8-9(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKey: GZUFHXSFPZCNJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CCCCOP(=O)(C)O
ACDLabs 10.04O=P(O)(OCCCC)C
OpenEye OEToolkits 1.6.1CCCCO[P@@](=O)(C)O
CACTVS 3.352CCCCO[P](C)(O)=O
Name:O-BUTLYLMETHYLPHOSPHONIC ACID ESTER GROUP
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).