BioLiP

PDB

BioLiP

PDB CCD ID:

9EV

Number of entries in BioLiP:

Chemical formula:

C16 H24 N3 O9 P

InChI:

InChI=1S/C16H24N3O9P/c1-9-14(21)13(10(6-18-9)8-27-29(24,25)26)15-19(7-12(20)28-15)5-3-2-4-11(17)16(22)23/h6,11,15,21H,2-5,7-8,17H2,1H3,(H,22,23)(H2,24,25,26)/t11-,15+/m0/s1

InChIKey:

SBAJHYHDSSMXGA-XHDPSFHLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ncc(CO[P](O)(O)=O)c([C@H]2OC(=O)CN2CCCC[C@H](N)C(O)=O)c1O
CACTVS 3.385	Cc1ncc(CO[P](O)(O)=O)c([CH]2OC(=O)CN2CCCC[CH](N)C(O)=O)c1O
OpenEye OEToolkits 2.0.6	Cc1c(c(c(cn1)COP(=O)(O)O)[C@@H]2N(CC(=O)O2)CCCC[C@@H](C(=O)O)N)O
OpenEye OEToolkits 2.0.6	Cc1c(c(c(cn1)COP(=O)(O)O)C2N(CC(=O)O2)CCCCC(C(=O)O)N)O
ACDLabs 12.01	C2(c1c(c(C)ncc1COP(=O)(O)O)O)N(CC(O2)=O)CCCCC(C(O)=O)N

Name:

6-[(2R)-2-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-5-oxo-1,3-oxazolidin-3-yl]-L-norleucine

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).