SEQ2FUN

BioLiP

PDB CCD ID: DSD
Number of entries in BioLiP: 17
Chemical formula: C10 H20 N2 O4
InChI: InChI=1S/C10H20N2O4/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)/t7-,8+/m0/s1
InChIKey: OQNJZSIPDMTUAJ-JGVFFNPUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](N)[CH](CCCCCC(O)=O)NC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(NC(=O)O)C(N)C
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)NC(=O)O)N
CACTVS 3.341C[C@H](N)[C@@H](CCCCCC(O)=O)NC(O)=O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)NC(=O)O)N
Name:7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACID
DrugBank: DB03624
ZINC: ZINC000002046976
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).