SEQ2FUN

BioLiP

PDB CCD ID: A1IE3
Number of entries in BioLiP: 1
Chemical formula: C14 H19 N2 O14 V2
InChI: InChI=1S/C10H16N2O4.C4H5O4.4H2O.2O.2V/c11-8(7-13)3-1-2-5-12-6-4-9(14)10(15)16;5-2-1-3(6)4(7)8;;;;;;;;/h4,6-8,14H,1-3,5,11H2,(H,15,16);1-3,5H,(H,7,8);4*1H2;;;;/q;-1;;;;;;;-1;+4/p-6/b9-4-,12-6-;2-1+;;;;;;;;/t8-;3-;;;;;;;;/m01......../s1
InChIKey: MQDNSSBMPLRBLP-HLUZNFTOSA-H
SMILES:
SoftwareSMILES
CACTVS 3.385O.O.O.O.N[C@@H](CCCCN=C\C=C(O[V](=O)O[C@H](\C=C\O)C(=[O--])O)\C(=[O--])O[V]=O)C=O
CACTVS 3.385O.O.O.O.N[CH](CCCCN=CC=C(O[V](=O)O[CH](C=CO)C(=[O--])O)C(=[O--])O[V]=O)C=O
OpenEye OEToolkits 2.0.7C(CCN=CC=C1C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)C=CO)O)[O])O[V](=O)([O])([O])[O])CC(C=O)N
OpenEye OEToolkits 2.0.7C(CC/N=C\C=C/1\C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)/C=C/O)O)[O])O[V](=O)([O])([O])[O])C[C@@H](C=O)N
Name:bis(maltolato)oxidovanadium(IV)
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).