BioLiP

PDB

BioLiP

PDB CCD ID:

UDL

Number of entries in BioLiP:

Chemical formula:

C8 H15 N O4

InChI:

InChI=1S/C8H15NO4/c1-4(2)7(11)6(8(12)13)9-5(3)10/h4,6-7,11H,1-3H3,(H,9,10)(H,12,13)/t6-,7+/m0/s1

InChIKey:

GIDOPHKISCKMBN-NKWVEPMBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)C(C(C(=O)O)NC(=O)C)O
CACTVS 3.385	CC(C)[C@@H](O)[C@H](NC(C)=O)C(O)=O
CACTVS 3.385	CC(C)[CH](O)[CH](NC(C)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CC(C)[C@H]([C@@H](C(=O)O)NC(=O)C)O

Name:

(2~{S},3~{R})-2-acetamido-4-methyl-3-oxidanyl-pentanoic 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).