BioLiP

PDB

BioLiP

PDB CCD ID:

F7V

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2

InChI:

InChI=1S/C6H11NO2/c1-2-3-4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2+/t5-/m0/s1

InChIKey:

OPOBBDXDRHKTJF-HRJJCQLASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C/C=C/C[C@@H](C(=O)O)N
CACTVS 3.385	CC=CC[CH](N)C(O)=O
OpenEye OEToolkits 2.0.6	CC=CCC(C(=O)O)N
ACDLabs 12.01	NC(C(O)=O)C\C=C\C
CACTVS 3.385	C/C=C/C[C@H](N)C(O)=O

Name:

(2S,4E)-2-aminohex-4-enoic acid

ZINC:

ZINC000005132862

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).