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BioLiP

PDB CCD ID: XNG
Number of entries in BioLiP: 1
Chemical formula: C14 H27 N O3
InChI: InChI=1S/C14H27NO3/c1-2-3-4-5-6-7-8-10-13(16)15-12-9-11-14(17)18/h2-12H2,1H3,(H,15,16)(H,17,18)
InChIKey: BARYBGIAWGGBOE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCC(=O)NCCCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCC(=O)NCCCC(=O)O
ACDLabs 12.01C(CCC(=O)O)NC(CCCCCCCCC)=O
Name:4-(decanoylamino)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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