BioLiP

PDB

BioLiP

PDB CCD ID:

LET

Number of entries in BioLiP:

Chemical formula:

C16 H26 N2 O8

InChI:

InChI=1S/C16H26N2O8/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-26-10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1

InChIKey:

CAXNMAPFZIWDHX-FHXOWUIVSA-N

SMILES:

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

Name:

(Z)-N^6-{3-CARBOXY-1-[(4-CARBOXY-2-OXOBUTOXY)METHYL]PROPYLIDENE}-L-LYSINE;
2-AMINO-6-[3-CARBOXY-1-(4-CARBOXY-2-OXO-BUTOXYMETHYL)-PROPYLIDENEAMINO]-HEXANOIC ACID

ZINC:

ZINC000058649650

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).