SEQ2FUN

BioLiP

PDB CCD ID: 140
Number of entries in BioLiP: 13
Chemical formula: C18 H35 N O3
InChI: InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
InChIKey: KVTFEOAKFFQCCX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(NCC(=O)O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)NCC(=O)O
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)NCC(O)=O
Name:N-PALMITOYLGLYCINE;
N-HEXADECANOYLGLYCINE
ChEMBL: CHEMBL226117
DrugBank: DB03440
ZINC: ZINC000008689962
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).