SEQ2FUN

BioLiP

PDB CCD ID: NON
Number of entries in BioLiP: 2
Chemical formula: C10 H20 O2
InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKey: IJXHLVMUNBOGRR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCC(=O)OC
ACDLabs 10.04O=C(OC)CCCCCCCC
Name:METHYL NONANOATE (ESTER)
ChEMBL: CHEMBL1234788
DrugBank: DB01631
ZINC: ZINC000002039285
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).