BioLiP

PDB

BioLiP

PDB CCD ID:

R1V

Number of entries in BioLiP:

Chemical formula:

C15 H25 N O4

InChI:

InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1

InChIKey:

WRAUYKHQSOIVEN-SRXBQZRASA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCCC(C)=CCN[CH](CCC(O)=O)C(O)=O
CACTVS 3.385	CC(C)=CCC/C(C)=C/CN[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01	CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O
OpenEye OEToolkits 2.0.7	CC(=CCCC(=CCNC(CCC(=O)O)C(=O)O)C)C
OpenEye OEToolkits 2.0.7	CC(=CCC/C(=C/CN[C@@H](CCC(=O)O)C(=O)O)/C)C

Name:

N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic 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).