BioLiP

PDB

BioLiP

PDB CCD ID:

FHL

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O5

InChI:

InChI=1S/C11H20N2O5/c12-9(11(17)18)3-1-2-6-13-8(7-14)4-5-10(15)16/h9,14H,1-7,12H2,(H,15,16)(H,17,18)/b13-8+/t9-/m0/s1

InChIKey:

PTXADOKTUKJDDE-ITTMYVLYSA-N

SMILES:

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

Name:

(E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE;
2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID

ZINC:

ZINC000058633190

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).