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BioLiP

PDB CCD ID: IDU
Number of entries in BioLiP: 5
Chemical formula: C6 H10 O10 S
InChI: InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3-,4-,6+/m1/s1
InChIKey: COJBCAMFZDFGFK-TVSWGBMESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
OpenEye OEToolkits 1.7.0[C@@H]1([C@H]([C@@H](O[C@@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O
CACTVS 3.370O[C@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
Name:2-O-sulfo-beta-L-altropyranuronic acid;
2-O-sulfo-beta-L-altruronic acid;
2-O-sulfo-L-altruronic acid;
2-O-sulfo-altruronic acid
DrugBank: DB03935
ZINC: ZINC000034920355
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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