BioLiP

PDB

BioLiP

PDB CCD ID:

NHF

Number of entries in BioLiP:

Chemical formula:

C6 H10 O5

InChI:

InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1

InChIKey:

OCLOLUFOLJIQDC-HSUXUTPPSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[C@H]1OCC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C1C(=O)C(C(C(O1)CO)O)O
CACTVS 3.341	OC[CH]1OCC(=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	C1C(=O)[C@H]([C@@H]([C@H](O1)CO)O)O
ACDLabs 10.04	O=C1COC(CO)C(O)C1O

Name:

1,5-anhydro-D-fructose

ChEMBL:

CHEMBL1234723

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).