BioLiP

PDB

BioLiP

PDB CCD ID:

MH8

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O2

InChI:

InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1

InChIKey:

AERCCJGORROTKW-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)(CCC/C=C)C
CACTVS 3.385	C[C](N)(CCCC=C)C(O)=O
OpenEye OEToolkits 1.7.6	CC(CCCC=C)(C(=O)O)N
CACTVS 3.385	C[C@](N)(CCCC=C)C(O)=O
OpenEye OEToolkits 1.7.6	C[C@](CCCC=C)(C(=O)O)N

Name:

(2S)-2-amino-2-methylhept-6-enoic acid

ZINC:

ZINC000034887184

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).