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BioLiP Library

PDB CCD ID: DYM
Number of entries in BioLiP: 1
Chemical formula: C11 H17 N O8
InChI: InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1
InChIKey: HEEZEJCEFZJVGN-YRCORFKGSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1OC[C@H](O)CO)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C=C(OC1OCC(CO)O)C(=O)O)O
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H](C=C(O[C@H]1OC[C@@H](CO)O)C(=O)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)C=C(O[CH]1OC[CH](O)CO)C(O)=O
Name:(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid;
6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID;
2,3-DIHYDROXYPROPYL ETHER MIMETIC;
(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enosiduronic acid;
(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-L-threo-hex-4-enosiduronic acid;
(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-threo-hex-4-enosiduronic acid
ZINC: ZINC000058632480
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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