SEQ2FUN

BioLiP

PDB CCD ID: ARW
Number of entries in BioLiP: 4
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4-,5+,6-/m1/s1
InChIKey: ZBDGHWFPLXXWRD-ARQDHWQXSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)COC1OC
OpenEye OEToolkits 1.5.0COC1C(C(C(CO1)O)O)O
CACTVS 3.341CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0CO[C@H]1[C@H]([C@@H]([C@@H](CO1)O)O)O
CACTVS 3.341CO[CH]1OC[CH](O)[CH](O)[CH]1O
Name:methyl beta-D-arabinopyranoside;
methyl beta-D-arabinoside;
methyl D-arabinoside;
methyl arabinoside
ZINC: ZINC000002563260
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).