BioLiP

PDB

BioLiP

PDB CCD ID:

RX9

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+

InChIKey:

XORZEQZOEIWCJH-SNAWJCMRSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC(C)=C(N)C(O)=O
OpenEye OEToolkits 2.0.7	CC/C(=C(\C(=O)O)/N)/C
CACTVS 3.385	CC/C(C)=C(/N)C(O)=O
OpenEye OEToolkits 2.0.7	CCC(=C(C(=O)O)N)C

Name:

Dehydroisoleucine;
(E)-2-azanyl-3-methyl-pent-2-enoic 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).