SEQ2FUN

BioLiP

PDB CCD ID: EKG
Number of entries in BioLiP: 8
Chemical formula: C19 H38 O4
InChI: InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1
InChIKey: QHZLMUACJMDIAE-GOSISDBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O
ACDLabs 12.01
OpenEye OEToolkits 2.0.6		CCCCCCCCCCCCCCCC(=O)OCC(CO)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
Name:(2R)-2,3-dihydroxypropyl hexadecanoate
ZINC: ZINC000032840892
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).