BioLiP

PDB

BioLiP

PDB CCD ID:

TS9

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c1-3(8)6(2,11)4(7)5(9)10/h3-4,8,11H,7H2,1-2H3,(H,9,10)/t3-,4-,6-/m1/s1

InChIKey:

QYQDTSNOBSCUAW-ZMIZWQJLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[CH](O)[C](C)(O)[CH](N)C(O)=O
ACDLabs 12.01	O=C(O)C(N)C(O)(C)C(O)C
CACTVS 3.370	C[C@@H](O)[C@@](C)(O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.0	CC(C(C)(C(C(=O)O)N)O)O
OpenEye OEToolkits 1.7.0	C[C@H]([C@](C)([C@@H](C(=O)O)N)O)O

Name:

(2S,3S,4R)-2-amino-3,4-dihydroxy-3-methylpentanoic acid

ZINC:

ZINC000058632099

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).