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BioLiP Library

PDB CCD ID: DLD
Number of entries in BioLiP: 0
Chemical formula: C18 H31 N5 O11
InChI: InChI=1S/C18H31N5O11/c1-7(26)21-11-14(29)13(28)9(5-24)32-18(11)34-16-10(6-25)33-17(31-4-3-20-23-19)12(15(16)30)22-8(2)27/h9-18,24-25,28-30H,3-6H2,1-2H3,(H,21,26)(H,22,27)/t9-,10-,11-,12-,13+,14-,15-,16-,17-,18+/m1/s1
InChIKey: YKVRUFHLKAPVGV-CHCRNKISSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(NC2C(O)C(O)C(OC2OC1C(OC(OCC\N=[N+]=[N-])C(NC(=O)C)C1O)CO)CO)C
OpenEye OEToolkits 1.7.2CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O
CACTVS 3.370CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](NC(C)=O)[CH](OCCN=[N+]=[N-])O[CH]2CO
CACTVS 3.370CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OCCN=[N+]=[N-])O[C@@H]2CO
OpenEye OEToolkits 1.7.2CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OCCN=[N+]=[N-])CO)CO)O)O
Name:2-azidoethyl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]-2-deoxy-beta-D-glucopyranoside
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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