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BioLiP Library

PDB CCD ID: WSF
Number of entries in BioLiP: 3
Chemical formula: C26 H51 O8 P
InChI: InChI=1S/C26H51O8P/c1-5-7-9-11-12-14-15-17-25(27)31-21-24(34-26(28)18-16-13-10-8-6-2)22-33-35(29,30)32-20-19-23(3)4/h23-24H,5-22H2,1-4H3,(H,29,30)/t24-/m1/s1
InChIKey: IMPGTAQAVHSDIP-XMMPIXPASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCC(C)C)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCC(C)C)OC(=O)CCCCCCC
CACTVS 3.385CCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCC(C)C)OC(=O)CCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCC(C)C)OC(=O)CCCCCCC
ACDLabs 12.01O=C(OC(COP(O)(=O)OCCC(C)C)COC(=O)CCCCCCCCC)CCCCCCC
Name:(2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate
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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