N(6),N(6),N(6)-trimethyl-L-lysine (CHEBI:17311)

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CHEBI:17311 - N⁶,N⁶,N⁶-trimethyl-L-lysine

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ChEBI Name	N⁶,N⁶,N⁶-trimethyl-L-lysine

ChEBI ID	CHEBI:17311

ChEBI ASCII Name	N(6),N(6),N(6)-trimethyl-L-lysine

Definition	An α-amino-acid cation that is the N⁶-trimethyl derivative of L-lysine.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:43974, CHEBI:7402, CHEBI:12672, CHEBI:21853

Supplier Information	ZINC000001529747

Download	Molfile XML SDF

more structures >>

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The Resolver thinks Mol

M3L - Ideal conformer

RDKit 3D

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RDKit 3D

34 33 0 0 0 0 0 0 0 0999 V2000

2.6730 -1.8060 -0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0

2.5880 -0.3650 -0.5090 C 0 0 1 0 0 0 0 0 0 0 0 0

1.3220 0.2020 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0

0.0900 -0.4100 -0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0

-1.1760 0.1570 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0

-2.4080 -0.4550 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.6230 0.0900 0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0

3.7980 0.3270 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0

4.4470 -0.2110 0.9300 O 0 0 0 0 0 0 0 0 0 0 0 0

4.1530 1.5410 -0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0

-3.6480 1.5490 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0

-3.6320 -0.2370 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0

-4.8060 -0.4980 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0

2.7040 -1.9100 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0

1.8020 -2.2110 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0

2.5530 -0.2000 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3040 1.2850 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0

1.3150 -0.0400 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0

0.1090 -1.4920 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0

0.0970 -0.1670 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1940 1.2400 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0

-1.1820 -0.0850 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.3890 -1.5370 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.4010 -0.2120 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0

4.9290 1.9850 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.7710 1.9850 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.6410 1.7910 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5500 1.9530 0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.5340 0.1670 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0

-3.6140 -1.3200 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0

-2.7550 0.1990 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.7990 -0.2550 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0

-4.7880 -1.5810 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0

-5.7080 -0.0940 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0

1 2 1 0

1 14 1 0

1 15 1 0

2 3 1 0

2 8 1 0

2 16 1 6

3 4 1 0

3 17 1 0

3 18 1 0

4 5 1 0

4 19 1 0

4 20 1 0

5 6 1 0

5 21 1 0

5 22 1 0

6 7 1 0

6 23 1 0

6 24 1 0

7 11 1 0

7 12 1 0

7 13 1 0

8 9 2 0

8 10 1 0

10 25 1 0

11 26 1 0

11 27 1 0

11 28 1 0

12 29 1 0

12 30 1 0

12 31 1 0

13 32 1 0

13 33 1 0

13 34 1 0

M CHG 1 7 1

M END): 29 ms

reading 34 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

34 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

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Molfile expand

Formula

C9H21N2O2

Net Charge

Average Mass

189.278

Monoisotopic Mass

189.15975

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

OC(=O)[C@@H](N)CCCC[N+](C)(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) has role human metabolite (CHEBI:77746) N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) has role mouse metabolite (CHEBI:75771) N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) is a α-amino-acid cation (CHEBI:33719) N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) is tautomer of N⁶,N⁶,N⁶-trimethyl-L-lysine zwitterion (CHEBI:58100)

Incoming	3-hydroxy-N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:15786) is a N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) N⁶,N⁶,N⁶-trimethyl-L-lysine residue (CHEBI:61961) is substituent group from N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311) N⁶,N⁶,N⁶-trimethyl-L-lysine zwitterion (CHEBI:58100) is tautomer of N⁶,N⁶,N⁶-trimethyl-L-lysine (CHEBI:17311)

IUPAC Name

N⁶,N⁶,N⁶-trimethyl-L-lysin-N⁶-ium

Synonyms	Sources
(S)-2-amino-6-(trimethylammonio)hexanoic acid	ChEBI
(S)-5-amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium	ChemIDplus
ε-N-trimethyl-L-lysine	ChemIDplus
ε-trimethyl-L-lysine	ChemIDplus
ε-trimethyllysine	ChemIDplus
N-TRIMETHYLLYSINE	PDBeChem
N6,N6,N6-Trimethyl-L-lysine	KEGG COMPOUND
N^ε-trimethyllysine	ChemIDplus
trimethyllysine	ChemIDplus

Manual Xrefs	Databases
C03793	KEGG COMPOUND
DB03977	DrugBank
M3L	PDBeChem
View more database links

Registry Numbers	Types	Sources
19253-88-4	CAS Registry Number	ChemIDplus
4133409	Beilstein Registry Number	Beilstein

Last Modified

21 November 2019

CHEBI:17311 - N6,N6,N6-trimethyl-L-lysine

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CHEBI:17311 - N⁶,N⁶,N⁶-trimethyl-L-lysine