BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2W

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3

InChI:

InChI=1S/C6H11NO3/c1-2-4-3-5(6(8)9)10-7-4/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5+/m1/s1

InChIKey:

HBSFCNAXHUPGHJ-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCC1CC(ON1)C(=O)O
CACTVS 3.385	CC[CH]1C[CH](ON1)C(O)=O
CACTVS 3.385	CC[C@@H]1C[C@H](ON1)C(O)=O
OpenEye OEToolkits 2.0.7	CC[C@@H]1C[C@H](ON1)C(=O)O

Name:

(3~{R},5~{S})-3-ethyl-1,2-oxazolidine-5-carboxylic 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).