BioLiP

PDB

BioLiP

PDB CCD ID:

SVA

Number of entries in BioLiP:

Chemical formula:

C3 H7 N O7 V

InChI:

InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1

InChIKey:

SYKYEBJDHHGBFL-PUAMRSTPSA-M

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](CO[V](O)([O-])([O-])[O-])C(O)=O
OpenEye OEToolkits 1.5.0	C([C@@H](C(=O)O)N)O[V](O)([O-])([O-])[O-]
CACTVS 3.341	N[CH](CO[V](O)([O-])([O-])[O-])C(O)=O
OpenEye OEToolkits 1.5.0	C(C(C(=O)O)N)O[V](O)([O-])([O-])[O-]
ACDLabs 10.04	[O-][V]([O-])([O-])(O)OCC(N)C(=O)O

Name:

SERINE VANADATE

DrugBank:

DB04031

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).