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BioLiP

PDB CCD ID: X2Y
Number of entries in BioLiP: 1
Chemical formula: C6 H12 O11 S2
InChI: InChI=1S/C6H12O11S2/c1-2-4(16-18(9,10)11)3(7)5(6(8)15-2)17-19(12,13)14/h2-8H,1H3,(H,9,10,11)(H,12,13,14)/t2-,3+,4+,5-,6+/m0/s1
InChIKey: DEUKUMHVPJKBEV-SXUWKVJYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O)[CH]1O[S](O)(=O)=O
CACTVS 3.385C[C@@H]1O[C@@H](O)[C@@H](O[S](O)(=O)=O)[C@H](O)[C@@H]1O[S](O)(=O)=O
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O
ACDLabs 12.01C1(C(C(C(C(O1)O)OS(O)(=O)=O)O)OS(O)(=O)=O)C
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OS(=O)(=O)O)O)OS(=O)(=O)O
Name:2,4-di-O-sulfo-alpha-L-fucopyranose;
6-deoxy-2,4-di-O-sulfo-alpha-L-galactopyranose
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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