SEQ2FUN

BioLiP

PDB CCD ID: K12
Number of entries in BioLiP: 0
Chemical formula: C12 H27 O5 P
InChI: InChI=1S/C12H27O5P/c13-11-9-7-5-3-1-2-4-6-8-10-12-17-18(14,15)16/h13H,1-12H2,(H2,14,15,16)
InChIKey: QDHWEQVVRFFGKU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OCCCCCCCCCCCCO[P](O)(O)=O
OpenEye OEToolkits 1.7.0C(CCCCCCOP(=O)(O)O)CCCCCO
ACDLabs 12.01O=P(OCCCCCCCCCCCCO)(O)O
Name:12-hydroxydodecyl dihydrogen phosphate
ZINC: ZINC000066156892
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).