BioLiP

PDB

BioLiP

PDB CCD ID:

6DN

Number of entries in BioLiP:

Chemical formula:

C8 H16 N2 O4

InChI:

InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1

InChIKey:

NUXSIDPKKIEIMI-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH](CCCCNCC(O)=O)C(O)=O
CACTVS 3.385	N[C@@H](CCCCNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5	C(CCNCC(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.5	C(CCNCC(=O)O)C[C@@H](C(=O)O)N

Name:

(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid

ZINC:

ZINC000002599098

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).