BioLiP

PDB

BioLiP

PDB CCD ID:

OI7

Number of entries in BioLiP:

Chemical formula:

C7 H16 O13 P2

InChI:

InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1

InChIKey:

YCQNLCZEHKXXNQ-BNWJMWRWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0	C([C@H]([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
CACTVS 3.370	O[C@H](CO[P](O)(O)=O)[C@H]1O[C@](O)(CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
CACTVS 3.370	O[CH](CO[P](O)(O)=O)[CH]1O[C](O)(CO[P](O)(O)=O)[CH](O)[CH]1O
ACDLabs 12.01	O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O

Name:

1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose;
1,7-di-O-phosphono-beta-D-altro-hept-2-ulose;
1,7-di-O-phosphono-D-altro-hept-2-ulose;
1,7-di-O-phosphono-altro-hept-2-ulose

ZINC:

ZINC000058632765

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).