BioLiP

PDB

BioLiP

PDB CCD ID:

REZ

Number of entries in BioLiP:

Chemical formula:

C10 H18 N2 O5

InChI:

InChI=1S/C10H18N2O5/c1-6(9(14)15)12-8(13)5-3-2-4-7(11)10(16)17/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m1/s1

InChIKey:

GMHVWLJCMCGBKZ-RNFRBKRXSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C
CACTVS 3.341	C[CH](NC(=O)CCCC[CH](N)C(O)=O)C(O)=O
CACTVS 3.341	C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C[C@H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	CC(C(=O)O)NC(=O)CCCCC(C(=O)O)N

Name:

(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID

ZINC:

ZINC000058649965

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).