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BioLiP

PDB CCD ID: ZHE
Number of entries in BioLiP: 1
Chemical formula: C15 H27 N O6
InChI: InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
InChIKey: ZYHQMRNILDNVCD-KJWHEZOQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O
CACTVS 3.385CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2CCCCC2
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2CCCCC2)CO)O)O
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2CCCCC2
ACDLabs 12.01CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1
Name:cyclohexylmethyl 2-acetamido-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).
  • 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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