BioLiP

PDB

BioLiP

PDB CCD ID:

5UK

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O6

InChI:

InChI=1S/C7H9NO6/c8-5(7(13)14)4(6(11)12)1-3(10)2-9/h4,8-9H,1-2H2,(H,11,12)(H,13,14)/b8-5+/t4-/m0/s1

InChIKey:

RVRAXUFLRLVVQJ-FMAAMLBYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	[H]/N=C(\[C@H](CC(=O)CO)C(=O)O)/C(=O)O
CACTVS 3.385	OCC(=O)C[CH](C(O)=O)C(=N)C(O)=O
CACTVS 3.385	OCC(=O)C[C@H](C(O)=O)C(=N)C(O)=O
OpenEye OEToolkits 2.0.4	C(C(C(=N)C(=O)O)C(=O)O)C(=O)CO
ACDLabs 12.01	OC(\C(=N)C(C(O)=O)CC(CO)=O)=O

Name:

2-IMINO,3-CARBOXY,5-OXO,6-HYDROXY 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).