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BioLiP

PDB CCD ID: 5II
Number of entries in BioLiP: 4
Chemical formula: C8 H16 O5
InChI: InChI=1S/C8H16O5/c1-4-6(10)7(11)5(3-9)13-8(4)12-2/h4-11H,3H2,1-2H3/t4-,5+,6+,7+,8-/m0/s1
InChIKey: GNHGGSMJGHLAKR-WCMLQCRESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC)CO)O)O
CACTVS 3.385CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1C
OpenEye OEToolkits 2.0.7CC1C(C(C(OC1OC)CO)O)O
CACTVS 3.385CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1C
Name:methyl 2-deoxy-2-methyl-alpha-D-mannopyranoside
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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