SEQ2FUN

BioLiP

PDB CCD ID: UBH
Number of entries in BioLiP: 2
Chemical formula: C7 H14 O5
InChI: InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m1/s1
InChIKey: OEKPKBBXXDGXNB-VEIUFWFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC)O
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)O)OC)O
CACTVS 3.385CO[C@H]1[C@H](O)[C@@H](C)O[C@H](O)[C@H]1O
ACDLabs 12.01OC1C(OC)C(O)C(C)OC1O
CACTVS 3.385CO[CH]1[CH](O)[CH](C)O[CH](O)[CH]1O
Name:3-O-methyl-alpha-D-rhamnopyranose;
6-deoxy-3-O-methyl-alpha-D-mannopyranose
ZINC: ZINC000002043151
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).