SEQ2FUN

BioLiP

PDB CCD ID: L3P
Number of entries in BioLiP: 0
Chemical formula: C46 H94 O11 P2
InChI: InChI=1S/C46H96O11P2/c1-37(2)17-11-19-39(5)21-13-23-41(7)25-15-27-43(9)29-31-53-35-46(36-57-59(51,52)56-34-45(47)33-55-58(48,49)50)54-32-30-44(10)28-16-26-42(8)24-14-22-40(6)20-12-18-38(3)4/h37-47H,11-36H2,1-10H3,(H,51,52)(H2,48,49,50)/p-2/t39?,40?,41-,42-,43-,44-,45-,46+/m1/s1
InChIKey: TZXJQSKPTCRGCA-VZSPAKCESA-L
SMILES:
SoftwareSMILES
ACDLabs 10.04[O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CACTVS 3.341CC(C)CCCC(C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)OC[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC[C@H](C)CCCC(C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
CACTVS 3.341CC(C)CCCC(C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC[CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH](C)CCCC(C)CCCC(C)C
Name:2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE
DrugBank: DB02293
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).