SEQ2FUN

BioLiP

PDB CCD ID: 3V3
Number of entries in BioLiP: 0
Chemical formula: C11 H23 N O6
InChI: InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
InChIKey: DKUZHSDZSMQOGQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CCOCCOCCOCCOCCN
OpenEye OEToolkits 1.9.2C(COCCOCCOCCOCCN)C(=O)O
CACTVS 3.385NCCOCCOCCOCCOCCC(O)=O
Name:1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid
ZINC: ZINC000079016460
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).