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BioLiP

PDB CCD ID: 98U
Number of entries in BioLiP: 4
Chemical formula: C8 H14 O6
InChI: InChI=1S/C8H14O6/c1-3-5(10)7(14-4(2)9)6(11)8(12)13-3/h3,5-8,10-12H,1-2H3/t3-,5+,6-,7+,8+/m0/s1
InChIKey: DSRWWNDXQIXWDI-RMQBOJNYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)O)OC(=O)C)O
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](OC(C)=O)[CH]1O
OpenEye OEToolkits 2.0.7C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)OC(=O)C)O
CACTVS 3.385C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](OC(C)=O)[C@@H]1O
ACDLabs 12.01OC1C(OC(=O)C)C(O)C(OC1C)O
Name:3-O-acetyl-6-deoxy-alpha-L-galactopyranose
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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