SEQ2FUN

BioLiP

PDB CCD ID: 18L
Number of entries in BioLiP: 4
Chemical formula: C21 H39 O7 P
InChI: InChI=1S/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)/b7-6-,10-9-/t20-/m1/s1
InChIKey: ZQTAMPRZFOOEEP-KKFOGOCZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)O
CACTVS 3.370CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.0CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
CACTVS 3.370CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(O)O
Name:(2R)-2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate;
D (+)-sn-1-O-linoleoyl-glyceryl-3-phosphate
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).