BioLiP

PDB

BioLiP

PDB CCD ID:

D8R

Number of entries in BioLiP:

Chemical formula:

C9 H18 N2 O4

InChI:

InChI=1S/C9H18N2O4/c1-6(12)8(13)11-5-3-2-4-7(10)9(14)15/h6-7,12H,2-5,10H2,1H3,(H,11,13)(H,14,15)/t6-,7+/m1/s1

InChIKey:

TVFTZQHBUQYHFH-RQJHMYQMSA-N

SMILES:

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

Name:

(2~{S})-2-azanyl-6-[[(2~{R})-2-oxidanylpropanoyl]amino]hexanoic acid

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).