BioLiP

PDB

BioLiP

PDB CCD ID:

EXY

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O3

InChI:

InChI=1S/C8H15NO3/c9-7(8(10)11)4-2-1-3-6-5-12-6/h6-7H,1-5,9H2,(H,10,11)/t6-,7+/m1/s1

InChIKey:

VESDHWISIJZIDY-RQJHMYQMSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](CCCC[CH]1CO1)C(O)=O
CACTVS 3.341	N[C@@H](CCCC[C@@H]1CO1)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCCC1OC1
OpenEye OEToolkits 1.5.0	C1C(O1)CCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	C1[C@H](O1)CCCC[C@@H](C(=O)O)N

Name:

6-[(2R)-oxiran-2-yl]-L-norleucine;
(2S)-2-amino-7,8-epoxy octanoic acid

ZINC:

ZINC000024982732

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).