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BioLiP

PDB CCD ID: M3L
Number of entries in BioLiP: 7
Chemical formula: C9 H21 N2 O2
InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1
InChIKey: MXNRLFUSFKVQSK-QMMMGPOBSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341C[N+](C)(C)CCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0C[N+](C)(C)CCCCC(C(=O)O)N
CACTVS 3.341C[N+](C)(C)CCCC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[N+](C)(C)C
Name:N-TRIMETHYLLYSINE
ChEMBL: CHEMBL1234168
DrugBank: DB03977
ZINC: ZINC000001529747
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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