BioLiP

PDB

BioLiP

PDB CCD ID:

3MF

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1

InChIKey:

OFSVCCCZZQKHKQ-QPPQHZFASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO
CACTVS 3.341	CO[C@@H]([C@H](O)[C@H](O)CO)C(=O)CO
ACDLabs 10.04	O=C(C(OC)C(O)C(O)CO)CO
CACTVS 3.341	CO[CH]([CH](O)[CH](O)CO)C(=O)CO
OpenEye OEToolkits 1.5.0	COC(C(C(CO)O)O)C(=O)CO

Name:

3-O-METHYLFRUCTOSE IN LINEAR FORM

DrugBank:

DB02438

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).