BioLiP

PDB

BioLiP

PDB CCD ID:

M3L

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.341	C[N+](C)(C)CCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	C[N+](C)(C)CCCCC(C(=O)O)N
CACTVS 3.341	C[N+](C)(C)CCCC[CH](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CCCC[N+](C)(C)C

Name:

N-TRIMETHYLLYSINE

ChEMBL:

CHEMBL1234168

DrugBank:

DB03977

ZINC:

ZINC000001529747

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).