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BioLiP

PDB CCD ID: F58
Number of entries in BioLiP: 1
Chemical formula: C14 H24 N2 O7
InChI: InChI=1S/C14H24N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h7-11,13,17-20H,1-6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey: CKZJXIPUYBZFJC-BZNQNGANSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1CCC(CC1)C(=O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O
OpenEye OEToolkits 1.7.6C1CCC(CC1)C(=O)NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
CACTVS 3.370OC[CH]1O[CH](NC(=O)NC(=O)C2CCCCC2)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C2CCCCC2
CACTVS 3.370OC[C@H]1O[C@@H](NC(=O)NC(=O)C2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O
Name:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine;
N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine;
N-[(cyclohexylcarbonyl)carbamoyl]-D-glucosylamine;
N-[(cyclohexylcarbonyl)carbamoyl]-glucosylamine
ZINC: ZINC000095920835
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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