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BioLiP

PDB CCD ID: XPA
Number of entries in BioLiP: 0
Chemical formula: C23 H44 O8 P
InChI: InChI=1S/C23H45O8P/c1-3-5-7-9-11-13-15-17-22(24)29-19-21(20-30-32(26,27)28)31-23(25)18-16-14-12-10-8-6-4-2/h21H,3-20H2,1-2H3,(H2,26,27,28)/p-1/t21-/m1/s1
InChIKey: PHQFPHNJHDEXLJ-OAQYLSRUSA-M
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC
ACDLabs 10.04O=P([O-])(O)OCC(OC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCC
Name:1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHATE
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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