BioLiP

PDB

BioLiP

PDB CCD ID:

XQB

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/h2-4,8,10H,1H2,(H,11,12)(H,13,14)/b8-5-/t3-,4-/m0/s1

InChIKey:

VTUFCOFLPXRECR-HFOCJQNASA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH](C[CH](C(O)=O)C(=N)C(O)=O)C=O
CACTVS 3.385	O[C@@H](C[C@H](C(O)=O)C(=N)C(O)=O)C=O
OpenEye OEToolkits 2.0.6	C(C(C=O)O)C(C(=N)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6	[H]/N=C(/[C@H](C[C@@H](C=O)O)C(=O)O)\C(=O)O

Name:

2-imino,3-carboxy,5-hydroxy,6-oxo 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).