SEQ2FUN

BioLiP

PDB CCD ID: OLC
Number of entries in BioLiP: 0
Chemical formula: C21 H40 O4
InChI: InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1
InChIKey: RZRNAYUHWVFMIP-GDCKJWNLSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OCC(O)CO)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](O)CO
Name:(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate;
1-Oleoyl-R-glycerol
ZINC: ZINC000032840903
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).