SEQ2FUN

BioLiP

PDB CCD ID: 1QW
Number of entries in BioLiP: 2
Chemical formula: C15 H30 O4
InChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1
InChIKey: ARIWANIATODDMH-CQSZACIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCC(=O)OC[C@H](O)CO
ACDLabs 12.01O=C(OCC(O)CO)CCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(=O)OC[C@@H](CO)O
CACTVS 3.370CCCCCCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.6CCCCCCCCCCCC(=O)OCC(CO)O
Name:(2R)-2,3-dihydroxypropyl dodecanoate;
1-Lauroyl-rac-glycerol
ZINC: ZINC000008437476
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).