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BioLiP Library

PDB CCD ID: 6PE
Number of entries in BioLiP: 0
Chemical formula: C17 H33 N O8 P
InChI: InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/p-1/t15-/m1/s1
InChIKey: PELYUHWUVHDSSU-OAHLLOKOSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)CCCCC
CACTVS 3.341CCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCC)COP([O-])(=O)OCCN)CCCCC
CACTVS 3.341CCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCCN)OC(=O)CCCCC
OpenEye OEToolkits 1.5.0CCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=O)CCCCC
Name:1,2-DIHEXANOYL-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)(download the PDF file).
  • 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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