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BioLiP

PDB CCD ID: PEX
Number of entries in BioLiP: 0
Chemical formula: C25 H49 N O8 P
InChI: InChI=1S/C25H50NO8P/c1-3-5-7-9-11-13-15-17-24(27)31-21-23(22-33-35(29,30)32-20-19-26)34-25(28)18-16-14-12-10-8-6-4-2/h23H,3-22,26H2,1-2H3,(H,29,30)/p-1/t23-/m1/s1
InChIKey: KKOSJVWUOHEQKA-HSZRJFAPSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCCCC)COP([O-])(=O)OCCN)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCCC
Name:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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