BioLiP

PDB

BioLiP

PDB CCD ID:

BZK

Number of entries in BioLiP:

Chemical formula:

C11 H21 N O4

InChI:

InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1

InChIKey:

HJQMYHUTXHUJNS-JEZHCXPESA-N

SMILES:

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

Name:

(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic 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).