SEQ2FUN

BioLiP

PDB CCD ID: DAA
Number of entries in BioLiP: 1
Chemical formula: C10 H19 Al F3 N2 O4
InChI: InChI=1S/C10H20N2O4.Al.3FH/c1-7(11)8(12-10(15)16)5-3-2-4-6-9(13)14;;;;/h7-8,12H,2-6,11H2,1H3,(H,13,14)(H,15,16);;3*1H/q;+3;;;/p-4/t7-,8+;;;;/m0..../s1
InChIKey: YXYIADHJEQLYPU-JWQBCWJNSA-J
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](N)[CH](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F
CACTVS 3.341C[C@H](N)[C@@H](CCCCCC(O)=O)NC(=O)O[Al-](F)(F)F
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O[Al-](F)(F)F)N
ACDLabs 10.04F[Al-](F)(F)OC(=O)NC(C(N)C)CCCCCC(=O)O
Name:8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDE
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).