BioLiP

PDB

BioLiP

PDB CCD ID:

GPO

Number of entries in BioLiP:

Chemical formula:

C7 H15 O10 P

InChI:

InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1

InChIKey:

JDFMKMOMBHLESC-XQCVOTFFSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
CACTVS 3.341	OC[C@@H](O)[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O
OpenEye OEToolkits 1.5.0	C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0	C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)OP(=O)(O)O)O)O

Name:

4-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
4-O-phosphono-D-glycero-beta-D-manno-heptose;
4-O-phosphono-D-glycero-D-manno-heptose;
4-O-phosphono-D-glycero-manno-heptose

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).