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BioLiP

PDB CCD ID: GNS
Number of entries in BioLiP: 49
Chemical formula: C6 H13 N O8 S
InChI: InChI=1S/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1
InChIKey: PRDZVHCOEWJPOB-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)O
ACDLabs 12.01O=S(=O)(O)NC1C(O)C(O)C(OC1O)CO
CACTVS 3.370OC[C@H]1O[C@H](O)[C@H](N[S](O)(=O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](N[S](O)(=O)=O)[CH](O)[CH]1O
Name:2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose;
N-SULFO-ALPHA-D-GLUCOSAMINE;
2-deoxy-2-(sulfoamino)-alpha-D-glucose;
2-deoxy-2-(sulfoamino)-D-glucose;
2-deoxy-2-(sulfoamino)-glucose
ZINC: ZINC000005830072
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)(download the PDF file).
  • 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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