SEQ2FUN

BioLiP

PDB CCD ID: HPO
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O4 P
InChI: InChI=1S/C7H15O4P/c1-2-3-4-5-7(8)6-12(9,10)11/h2-6H2,1H3,(H2,9,10,11)
InChIKey: ACMQFLCUSWMWKH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)CP(=O)(O)O
ACDLabs 10.04O=C(CCCCC)CP(=O)(O)O
CACTVS 3.341CCCCCC(=O)C[P](O)(O)=O
Name:2-OXOHEPTYLPHOSPHONIC ACID
DrugBank: DB07912
ZINC: ZINC000024708839
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).