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BioLiP Library

PDB CCD ID: LM2
Number of entries in BioLiP: 1
Chemical formula: C19 H34 N2 O15
InChI: InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1
InChIKey: INFXBQXKGPGIEV-PXPLVWFRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](CO)NC(=NO)[CH](O)[CH]3O
ACDLabs 10.04O(C1C(O)C(O)C(=N\O)\NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)C(O)C3O)CO
OpenEye OEToolkits 1.7.5COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO
CACTVS 3.385CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@@H]3[C@@H](CO)NC(=N\O)/[C@H](O)[C@H]3O
OpenEye OEToolkits 1.7.5CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO
Name:4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE;
4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
ChEMBL: CHEMBL1234040
ZINC: ZINC000016051549
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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