BioLiP

PDB

BioLiP

PDB CCD ID:

H2P

Number of entries in BioLiP:

Chemical formula:

C7 H15 O9 P

InChI:

InChI=1S/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1

InChIKey:

QZBAZODTRUGOQS-XUUWZHRGSA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[P](O)(O)=O
CACTVS 3.341	C[C]1(O[CH](CO)[CH](O)[CH](O)[CH]1O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	CC1(C(C(C(C(O1)CO)O)O)O)OP(=O)(O)O
ACDLabs 10.04	O=P(OC1(OC(C(O)C(O)C1O)CO)C)(O)O
OpenEye OEToolkits 1.5.0	C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OP(=O)(O)O

Name:

1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose;
HEPTULOSE-2-PHOSPHATE;
1-deoxy-2-O-phosphono-alpha-D-gluco-hept-2-ulose;
1-deoxy-2-O-phosphono-D-gluco-hept-2-ulose;
1-deoxy-2-O-phosphono-gluco-hept-2-ulose

DrugBank:

DB04195

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).