SEQ2FUN

BioLiP

PDB CCD ID: MHH
Number of entries in BioLiP: 13
Chemical formula: C7 H17 O3 P
InChI: InChI=1S/C7H17O3P/c1-3-4-5-6-7-11(8,9)10-2/h3-7H2,1-2H3,(H,8,9)
InChIKey: FOQQOPHBXMFLMD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCC[P@](O)(=O)OC
OpenEye OEToolkits 1.5.0CCCCCC[P@@](=O)(O)OC
CACTVS 3.341CCCCCC[P](O)(=O)OC
OpenEye OEToolkits 1.5.0CCCCCCP(=O)(O)OC
ACDLabs 10.04O=P(O)(OC)CCCCCC
Name:methyl hydrogen (R)-hexylphosphonate
ZINC: ZINC000058649702
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).