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BioLiP

PDB CCD ID: O12
Number of entries in BioLiP: 0
Chemical formula: C17 H34 N2 O3
InChI: InChI=1S/C17H34N2O3/c1-2-3-4-5-6-7-8-9-10-13-16(20)19-14-11-12-15(18)17(21)22/h15H,2-14,18H2,1H3,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKey: FISWIEVEEGBZND-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)NCCCC(C(=O)O)N
CACTVS 3.341CCCCCCCCCCCC(=O)NCCC[C@H](N)C(O)=O
ACDLabs 10.04O=C(NCCCC(N)C(=O)O)CCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC(=O)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)NCCC[C@@H](C(=O)O)N
Name:N~5~-dodecanoyl-L-ornithine
ZINC: ZINC000058638997
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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