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BioLiP

PDB CCD ID: AQA
Number of entries in BioLiP: 8
Chemical formula: C6 H8 O6
InChI: InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4+,6-/m0/s1
InChIKey: IAKKJSVSFCTLRY-DJSBZWDSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(OC(C(C1O)O)O)C(=O)O
OpenEye OEToolkits 2.0.7C1=C(O[C@@H]([C@@H]([C@H]1O)O)O)C(=O)O
ACDLabs 12.01O=C(O)C=1OC(C(C(C=1)O)O)O
CACTVS 3.385O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
CACTVS 3.385O[C@H]1OC(=C[C@H](O)[C@H]1O)C(O)=O
Name:4-deoxy-beta-L-threo-hex-4-enopyranuronic acid;
4-deoxy-beta-L-threo-hex-4-enuronic acid;
4-deoxy-L-threo-hex-4-enuronic acid;
4-deoxy-threo-hex-4-enuronic acid
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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