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BioLiP

PDB CCD ID: GU6
Number of entries in BioLiP: 13
Chemical formula: C6 H12 O15 S3
InChI: InChI=1S/C6H12O15S3/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17)/t2-,3-,4+,5-,6+/m1/s1
InChIKey: GRHWGVDHRAZFMQ-DVKNGEFBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O
CACTVS 3.385O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O
ACDLabs 12.01C1(C(C(OS(=O)(O)=O)C(O)C(COS(=O)(O)=O)O1)OS(O)(=O)=O)O
CACTVS 3.385O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[S](O)(=O)=O)[CH]1O[S](O)(=O)=O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O
Name:2,3,6-tri-O-sulfo-alpha-D-glucopyranose;
2,3,6-TRI-O-SULFONATO-ALPHA-D-GLUCOPYRANOSE;
2,3,6-tri-O-sulfo-alpha-D-glucose;
2,3,6-tri-O-sulfo-D-glucose;
2,3,6-tri-O-sulfo-glucose
ZINC: ZINC000136252347
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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