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BioLiP

PDB CCD ID: A1ACX
Number of entries in BioLiP: 10
Chemical formula: C24 H51 N O6 P
InChI: InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(26)29-21-18-22-30-32(27,28)31-23-20-25(2,3)4/h5-23H2,1-4H3/p+1
InChIKey: RADDWOTUVGBPAO-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
ACDLabs 12.01C[N+](C)(C)CCOP(O)(=O)OCCCOC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OCCCO[P](O)(=O)OCC[N+](C)(C)C
Name:3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxypropyl hexadecanoate
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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