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BioLiP

PDB CCD ID: S9Y
Number of entries in BioLiP: 4
Chemical formula: C18 H39 N O6 P
InChI: InChI=1S/C18H38NO6P/c1-6-7-8-9-10-11-12-13-18(20)25-17(2)16-24-26(21,22)23-15-14-19(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
InChIKey: QDKXDMCUNRVOEC-KRWDZBQOSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCC(=O)O[CH](C)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCC(=O)O[C@@H](C)CO[P](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)OC(C)COP(=O)(O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)O[C@@H](C)COP(=O)(O)OCC[N+](C)(C)C
Name:2-[[(2~{S})-2-decanoyloxypropoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium
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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