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BioLiP Library

PDB CCD ID: 7GP
Number of entries in BioLiP: 1
Chemical formula: C10 H17 N O8
InChI: InChI=1S/C10H17NO8/c1-2-18-10(17)8(16)11-9-7(15)6(14)5(13)4(3-12)19-9/h4-7,9,12-15H,2-3H2,1H3,(H,11,16)/t4-,5-,6+,7-,9-/m1/s1
InChIKey: TVQLSCFCYGZTNJ-XSEHCYKFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCOC(=O)C(=O)N[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OCC
OpenEye OEToolkits 1.5.0CCOC(=O)C(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
OpenEye OEToolkits 1.5.0CCOC(=O)C(=O)NC1C(C(C(C(O1)CO)O)O)O
CACTVS 3.341CCOC(=O)C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Name:N-[ethoxy(oxo)acetyl]-beta-D-glucopyranosylamine;
ETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE;
N-[ethoxy(oxo)acetyl]-beta-D-glucosylamine;
N-[ethoxy(oxo)acetyl]-D-glucosylamine;
N-[ethoxy(oxo)acetyl]-glucosylamine
ChEMBL: CHEMBL1230565
ZINC: ZINC000016052005
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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