BioLiP

PDB

BioLiP

PDB CCD ID:

CWL

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O4

InChI:

InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1

InChIKey:

NHQUUILSXUJSSP-RKDXNWHRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](N)[C@H](CCCCCC(O)=O)CC(O)=O
OpenEye OEToolkits 2.0.7	C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N
OpenEye OEToolkits 2.0.7	CC(C(CCCCCC(=O)O)CC(=O)O)N
CACTVS 3.385	C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O

Name:

(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid

ZINC:

ZINC000003870894

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).