SEQ2FUN

BioLiP

PDB CCD ID: VLP
Number of entries in BioLiP: 1
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)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChIKey: BBNYCLAREVXOSG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCCCCCCCCC(=O)OC(CO)CO
ACDLabs 12.01C(CCCCCCC(OC(CO)CO)=O)CCCCCCCC
Name:1,3-dihydroxypropan-2-yl hexadecanoate
ChEMBL: CHEMBL1317070
ZINC: ZINC000008022579
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).