BioLiP

PDB

BioLiP

PDB CCD ID:

A1LWV

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O4

InChI:

InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1

InChIKey:

IUBWATAYLBDTRN-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CCNC(=O)CCCC=O)C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCCCNC(=O)CCCC=O)C(O)=O
OpenEye OEToolkits 2.0.7	C(CCNC(=O)CCCC=O)CC(C(=O)O)N
CACTVS 3.385	N[C@@H](CCCCNC(=O)CCCC=O)C(O)=O

Name:

(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)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).