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BioLiP

PDB CCD ID: MG8
Number of entries in BioLiP: 4
Chemical formula: C15 H31 N O6
InChI: InChI=1S/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3
InChIKey: SBWGZAXBCCNRTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCC(=O)N(C)C[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O
CACTVS 3.341CCCCCCCC(=O)N(C)CC(O)C(O)C(O)C(O)CO
ACDLabs 10.04O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
Name:N-OCTANOYL-N-METHYLGLUCAMINE;
MEGA 8;
N-(D-GLUCITYL)-N-METHYLOCTANAMIDE
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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