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BioLiP Library

PDB CCD ID: 98X
Number of entries in BioLiP: 10
Chemical formula: C9 H10 O7
InChI: InChI=1S/C9H10O7/c1-9(8(12)13)15-4-2-5(7(10)11)14-3-6(4)16-9/h2,4,6H,3H2,1H3,(H,10,11)(H,12,13)/t4-,6-,9+/m0/s1
InChIKey: ILHRGDJLAZPQBR-QKVARQBESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(=O)O)C(=O)O
CACTVS 3.385C[C]1(O[CH]2COC(=C[CH]2O1)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6CC1(OC2COC(=CC2O1)C(=O)O)C(=O)O
CACTVS 3.385C[C@@]1(O[C@H]2COC(=C[C@@H]2O1)C(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C1(OC2C(O1)C=C(C(=O)O)OC2)C
Name:2,6-anhydro-4,5-O-[(1R)-1-carboxyethylidene]-3-deoxy-L-threo-hex-2-enonic 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)(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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