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BioLiP

PDB CCD ID: IDS
Number of entries in BioLiP: 106
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+/m0/s1
InChIKey: COJBCAMFZDFGFK-VCSGLWQLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
OpenEye OEToolkits 1.5.0[C@@H]1([C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O
CACTVS 3.341O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
CACTVS 3.341O[C@@H]1O[C@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
ACDLabs 10.04O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
Name:2-O-sulfo-alpha-L-idopyranuronic acid;
O2-SULFO-GLUCURONIC ACID;
2-O-sulfo-alpha-L-iduronic acid;
2-O-sulfo-L-iduronic acid;
2-O-sulfo-iduronic acid
DrugBank: DB02264
ZINC: ZINC000004096028
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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