BioLiP

PDB

BioLiP

PDB CCD ID:

G7P

Number of entries in BioLiP:

Chemical formula:

C7 H15 O8 P

InChI:

InChI=1S/C7H15O8P/c8-4-3(1-2-16(12,13)14)15-7(11)6(10)5(4)9/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1

InChIKey:

POGBMBNNYPHAGN-XUUWZHRGSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C(CP(=O)(O)O)C1C(C(C(C(O1)O)O)O)O
CACTVS 3.352	O[CH]1O[CH](CC[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1	C(CP(=O)(O)O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
ACDLabs 10.04	O=P(O)(O)CCC1OC(O)C(O)C(O)C1O
CACTVS 3.352	O[C@@H]1O[C@H](CC[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O

Name:

6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose;
6,7-dideoxy-7-phosphono-beta-D-gluco-heptose;
6,7-dideoxy-7-phosphono-D-gluco-heptose;
6,7-dideoxy-7-phosphono-gluco-heptose

ZINC:

ZINC000039129324

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).