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BioLiP

PDB CCD ID: NKO
Number of entries in BioLiP: 3
Chemical formula: C19 H39 O7 P
InChI: InChI=1S/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)/t18-/m1/s1
InChIKey: YNDYKPRNFWPPFU-GOSISDBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)COC(=O)CCCCCCCCCCCCCCC)(O)O
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O
OpenEye OEToolkits 1.7.0CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
Name:(2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate;
16:0 LPA;
palmitoyl lysophosphatidic acid
ChEMBL: CHEMBL364797
ZINC: ZINC000008219000
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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