BioLiP

PDB

BioLiP

PDB CCD ID:

VG1

Number of entries in BioLiP:

Chemical formula:

C6 H13 O12 P V

InChI:

InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13;;;;/h2-6,8-10H,1H2,(H2,11,12,13);1H2;;;/q-1;;;;+2/p-1/t2-,3-,4+,5-,6-;;;;/m1..../s1

InChIKey:

SYRDAPWACIANBN-QMKHLHGBSA-M

SMILES:

Software	SMILES
CACTVS 3.341	O[CH]1[CH](O)[CH](CO[V](O)(=O)=O)O[CH](O[P](O)(O)=O)[CH]1O
ACDLabs 10.04	O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
CACTVS 3.341	O[C@H]1[C@H](O)[C@@H](CO[V](O)(=O)=O)O[C@H](O[P](O)(O)=O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O[V](=O)(=O)O

Name:

ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE

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).