SEQ2FUN

BioLiP

PDB CCD ID: DLP
Number of entries in BioLiP: 19
Chemical formula: C44 H80 N O8 P
InChI: InChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKey: FVXDQWZBHIXIEJ-LNDKUQBDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCC\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCC/C=C\C\C=C/CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
Name:1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE
DrugBank: DB04372
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).