BioLiP

PDB

BioLiP

PDB CCD ID:

T09

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O2

InChI:

InChI=1S/C9H19NO2/c1-3-4-5-7(2)6-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1

InChIKey:

YPMMOCARISFQBS-SFYZADRCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCC[C@@H](C)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	CCCCC(C)CC(C(=O)O)N
ACDLabs 12.01	NC(CC(C)CCCC)C(=O)O
CACTVS 3.385	CCCC[C@@H](C)C[C@H](N)C(O)=O
CACTVS 3.385	CCCC[CH](C)C[CH](N)C(O)=O

Name:

(2S,4R)-2-amino-4-methyloctanoic 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).