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BioLiP Library

PDB CCD ID: CHK
Number of entries in BioLiP: 1
Chemical formula: C16 H31 N O7
InChI: InChI=1S/C16H31NO7/c18-7-6-17(14(22)8-11-4-2-1-3-5-11)9-12(20)15(23)16(24)13(21)10-19/h11-13,15-16,18-21,23-24H,1-10H2/t12-,13+,15-,16+/m1/s1
InChIKey: DIWWAIOQKLBBRJ-CLWVCHIJSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)CC(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O)O)O)O
CACTVS 3.341OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CC1CCCCC1
OpenEye OEToolkits 1.5.0C1CCC(CC1)CC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O
CACTVS 3.341OCCN(C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C(=O)CC1CCCCC1
Name:6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL;
C-HEGA-8;
CYCLOHEXYLETHANOYL-N-HYDROXYETHYLGLUCOAMIDE
ZINC: ZINC000032304115
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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