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BioLiP

PDB CCD ID: KCR
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N2 O3
InChI: InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1
InChIKey: IZHPCCLNIDDVFG-NCJLJLRUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC=CC(=O)NCCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2CC=CC(=O)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.9.2C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N
CACTVS 3.385C\C=C\C(=O)NCCCC[C@H](N)C(O)=O
ACDLabs 12.01NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C
Name:N-6-crotonyl-L-lysine
ZINC: ZINC000230402790
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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