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BioLiP

PDB CCD ID: OH0
Number of entries in BioLiP: 3
Chemical formula: C10 H19 N O4
InChI: InChI=1S/C10H19NO4/c1-2-3-4-5-6-9(12)11(15)8-7-10(13)14/h15H,2-8H2,1H3,(H,13,14)
InChIKey: DOYDHAWEPMQVFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCC(=O)N(O)CCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCC(=O)N(CCC(=O)O)O
ACDLabs 12.01O=C(O)CCN(O)C(=O)CCCCCC
Name:N-heptanoyl-N-hydroxy-beta-alanine
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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