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BioLiP

PDB CCD ID: TF0
Number of entries in BioLiP: 0
Chemical formula: C14 H25 N O11
InChI: InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKey: HMQPEDMEOBLSQB-IQKNWYLPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O
OpenEye OEToolkits 2.0.6CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
ACDLabs 12.01C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
OpenEye OEToolkits 2.0.6CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C(C(O2)CO)O)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O
Name:2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose;
TF antigen
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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