BioLiP

PDB

BioLiP

PDB CCD ID:

ARI

Number of entries in BioLiP:

Chemical formula:

C8 H14 O4

InChI:

InChI=1S/C8H14O4/c1-5-7(12-6(2)9)3-4-8(10)11-5/h5,7-8,10H,3-4H2,1-2H3/t5-,7-,8-/m1/s1

InChIKey:

NNWBJOVUTCFRGH-LPBLVHEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@@H](CC[C@@H](O1)O)OC(=O)C
CACTVS 3.341	C[CH]1O[CH](O)CC[CH]1OC(C)=O
OpenEye OEToolkits 1.5.0	CC1C(CCC(O1)O)OC(=O)C
ACDLabs 10.04	O=C(OC1C(OC(O)CC1)C)C
CACTVS 3.341	C[C@H]1O[C@@H](O)CC[C@H]1OC(C)=O

Name:

(2R,3R,6R)-6-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate;
[O4]-ACETOXY-2,3-DIDEOXYFUCOSE

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).