SEQ2FUN

BioLiP

PDB CCD ID: REE
Number of entries in BioLiP: 1
Chemical formula: C6 H15 N2 O2
InChI: InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3/p+1
InChIKey: PVBQYTCFVWZSJK-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[N+](C)(C)NCCC(=O)O
CACTVS 3.370C[N+](C)(C)NCCC(O)=O
ACDLabs 12.01O=C(O)CCN[N+](C)(C)C
Name:2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
ChEMBL: CHEMBL1235648
ZINC: ZINC000000003864
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).