BioLiP

PDB

BioLiP

PDB CCD ID:

G5G

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c1-6(11,3-8)2-4(7)5(9)10/h4,8,11H,2-3,7H2,1H3,(H,9,10)/t4-,6-/m0/s1

InChIKey:

ASHXMQKUZGLXMR-NJGYIYPDSA-N

SMILES:

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

Name:

(2S,4S)-2-amino-4,5-dihydroxy-4-methylpentanoic 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).