BioLiP

PDB

BioLiP

PDB CCD ID:

KYQ

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O5

InChI:

InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1

InChIKey:

KPQVRBQSBOCTRG-BYPFVBTMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CCN=C(CO)C(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C(CC/N=C(\CO)/C(=O)O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](CCCCN=C(CO)C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCC/N=C(/C(=O)O)CO
CACTVS 3.341	N[C@@H](CCCCN=C(CO)C(O)=O)C(O)=O

Name:

(E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine

ZINC:

ZINC000058649887

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).