SEQ2FUN

BioLiP

PDB CCD ID: P3G
Number of entries in BioLiP: 0
Chemical formula: C12 H26 O5
InChI: InChI=1S/C12H26O5/c1-3-13-5-7-15-9-11-17-12-10-16-8-6-14-4-2/h3-12H2,1-2H3
InChIKey: HYDWALOBQJFOMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCOCCOCCOCCOCCOCC
ACDLabs 10.04O(CC)CCOCCOCCOCCOCC
Name:3,6,9,12,15-PENTAOXAHEPTADECANE
DrugBank: DB02343
ZINC: ZINC000005650744
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).