BioLiP

PDB

BioLiP

PDB CCD ID:

9R1

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4

InChI:

InChI=1S/C8H15NO4/c9-6(8(12)13)4-2-1-3-5-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1

InChIKey:

YOFPFYYTUIARDI-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CC[C@@H](C(=O)O)N)CCC(=O)O
CACTVS 3.385	N[CH](CCCCCC(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCCCCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(CCC(C(=O)O)N)CCC(=O)O
ACDLabs 12.01	NC(CCCCCC(O)=O)C(O)=O

Name:

(2S)-2-aminooctanedioic acid

ZINC:

ZINC000002384796

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).