SEQ2FUN

BioLiP

PDB CCD ID: AGA
Number of entries in BioLiP: 0
Chemical formula: C19 H36 O10 P
InChI: InChI=1S/C19H37O10P/c1-3-5-7-8-9-11-19(23)29-17(14-26-18(22)10-6-4-2)15-28-30(24,25)27-13-16(21)12-20/h16-17,20-21H,3-15H2,1-2H3,(H,24,25)/p-1/t16-,17+/m0/s1
InChIKey: UQSXQYRZHMGKIE-DLBZAZTESA-M
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCC(=O)O[CH](COC(=O)CCCC)CO[P]([O-])(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.5CCCCCCCC(=O)O[C@H](COC(=O)CCCC)COP(=O)([O-])OC[C@H](CO)O
CACTVS 3.385CCCCCCCC(=O)O[C@H](COC(=O)CCCC)CO[P]([O-])(=O)OC[C@@H](O)CO
OpenEye OEToolkits 1.7.5CCCCCCCC(=O)OC(COC(=O)CCCC)COP(=O)([O-])OCC(CO)O
ACDLabs 10.04O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCC)CCCCCCC
Name:(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE;
PHOSPHATIDYL GLYCEROL
DrugBank: DB07349
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).