BioLiP

PDB

BioLiP

PDB CCD ID:

0E5

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O3

InChI:

InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1

InChIKey:

XHNHHUFIUAJZNF-NJXYFUOMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CCC(C)(C(C(=O)O)N)O
CACTVS 3.370	CC[C@](C)(O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6	CC[C@](C)([C@@H](C(=O)O)N)O
ACDLabs 12.01	O=C(O)C(N)C(O)(C)CC
CACTVS 3.370	CC[C](C)(O)[CH](N)C(O)=O

Name:

(2S,3R)-2-azanyl-3-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).