BioLiP

PDB

BioLiP

PDB CCD ID:

JVA

Number of entries in BioLiP:

Chemical formula:

C7 H14 F O7 P

InChI:

InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1

InChIKey:

CDQMFQZEPGCBTC-NYMZXIIRSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
CACTVS 3.385	OC[CH]1O[CH](C[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
CACTVS 3.385	OC[C@H]1O[C@H](C[P](O)(O)=O)[C@@H](F)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6	C(C1C(C(C(C(O1)CP(=O)(O)O)F)O)O)O
OpenEye OEToolkits 2.0.6	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O

Name:

2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol

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).