SEQ2FUN

BioLiP

PDB CCD ID: G2A
Number of entries in BioLiP: 1
Chemical formula: C23 H46 O4
InChI: InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3
InChIKey: KECCPKLXQUOWMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
Name:2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
ZINC: ZINC000032840827
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).