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BioLiP

PDB CCD ID: 8PD
Number of entries in BioLiP: 4
Chemical formula: C20 H39 N O4
InChI: InChI=1S/C20H39NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(16-17-22)20(24)25/h18,22H,2-17H2,1H3,(H,21,23)(H,24,25)/t18-/m0/s1
InChIKey: GYSOJFKWYUVNCE-SFHVURJKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[C@@H](CCO)C(O)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)N[CH](CCO)C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)N[C@@H](CCO)C(=O)O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)NC(CCO)C(=O)O
Name:(2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid
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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