BioLiP

PDB

BioLiP

PDB CCD ID:

WVL

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c1-5(2)4-6(3)7(9)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/t6-,7+/m1/s1

InChIKey:

ACJIBDJXENOACA-RQJHMYQMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C=C(C)C)C(C(=O)O)N
OpenEye OEToolkits 1.7.6	C[C@H](C=C(C)C)[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)C(\C=C(/C)C)C
CACTVS 3.370	C[C@H](C=C(C)C)[C@H](N)C(O)=O
CACTVS 3.370	C[CH](C=C(C)C)[CH](N)C(O)=O

Name:

(2S,3R)-2-amino-3,5-dimethylhex-4-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).