SEQ2FUN

BioLiP

PDB CCD ID: 56S
Number of entries in BioLiP: 2
Chemical formula: C15 H30 O2
InChI: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChIKey: UJPPXNXOEVDSRW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.9.2		CCCCCCCCCCCC(=O)OC(C)C
ACDLabs 12.01C(CC(OC(C)C)=O)CCCCCCCCC
Name:propan-2-yl dodecanoate;
Isopropyl laurate
ZINC: ZINC000002023796
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).