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BioLiP

PDB CCD ID: H15
Number of entries in BioLiP: 2
Chemical formula: C25 H43 N O3
InChI: InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-25(29)26-23(21-27)20-24(28)22-17-14-13-15-18-22/h13-15,17-18,23-24,27-28H,2-12,16,19-21H2,1H3,(H,26,29)/t23-,24-/m1/s1
InChIKey: LFNPKXLKUQCCJV-DNQXCXABSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO
CACTVS 3.341CCCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
ACDLabs 10.04O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCC(=O)N[C@H](CC(c1ccccc1)O)CO
Name:N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide
ChEMBL: CHEMBL121013
ZINC: ZINC000043361922
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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