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BioLiP

PDB CCD ID: KD5
Number of entries in BioLiP: 0
Chemical formula: C8 H12 O7
InChI: InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4?,5-,6-,7-/m1/s1
InChIKey: HVHHMEMCULPBED-UVSCYPECSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)CO)O)O)C(=O)C(=O)O
CACTVS 3.370OC[C@H]1O[C@H](CC(=O)C(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H](O1)CO)O)O)C(=O)C(=O)O
CACTVS 3.370OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
ACDLabs 12.01O=C(O)C(=O)CC1OC(CO)C(O)C1O
Name:4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic 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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