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BioLiP

PDB CCD ID: LPS
Number of entries in BioLiP: 2
Chemical formula: C21 H44 N O9 P
InChI: InChI=1S/C21H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)29-15-18(23)16-30-32(27,28)31-17-19(22)21(25)26/h18-20,23-24H,2-17,22H2,1H3,(H,25,26)(H,27,28)/t18-,19+,20-/m1/s1
InChIKey: RPZLJDFLPRHXGM-HSALFYBXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O
CACTVS 3.341CCCCCCCCCCCCCC[C@H](O)OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(C(=O)O)N)O
ACDLabs 10.04O=C(O)C(N)COP(=O)(OCC(O)COC(O)CCCCCCCCCCCCCC)O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(O)OC[C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O
Name:O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE;
LYSOPHOSPHOTIDYLSERINE
DrugBank: DB04136
ZINC: ZINC000038377594
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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