SEQ2FUN

BioLiP

PDB CCD ID: DDR
Number of entries in BioLiP: 0
Chemical formula: C23 H44 O5
InChI: InChI=1S/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3/t21-/m0/s1
InChIKey: GNSDEDOVXZDMKM-NRFANRHFSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(OC(COC(=O)CCCCCCCCC)CO)CCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC
CACTVS 3.341CCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC
Name:(2S)-3-hydroxypropane-1,2-diyl didecanoate;
1,2-DIDECANOYL-SN-GLYCEROL
ZINC: ZINC000008218299
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).