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Showing metabocard for L-Lysine hydrochloride (HMDB0301757)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-22 16:55:21 UTC
Update Date2021-09-22 16:55:21 UTC
HMDB IDHMDB0301757
Secondary Accession NumbersNone
Metabolite Identification
Common NameL-Lysine hydrochloride
DescriptionL-lysine hydrochloride belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. L-lysine hydrochloride is a drug. Based on a literature review very few articles have been published on L-lysine hydrochloride.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0301757 (L-Lysine hydrochloride)


  Mrv0541 02241220442D          

 11  9  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4325    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2904    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
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3D MOL for HMDB0301757 (L-Lysine hydrochloride)

HMDB0301757
     RDKit          3D
L-Lysine hydrochloride
 26 24  0  0  0  0  0  0  0  0999 V2000
    0.6888    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    1.4756    0.4637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8678    0.0603    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5933   -0.6532    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -0.1410   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -0.9050    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0233   -0.5002   -0.6801 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1133   -1.3188   -0.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    0.9074   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    1.2253   -0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    1.9578   -0.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4821    1.8724    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039    2.0271   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -0.3618    0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.1533   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -1.7393    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.4607    1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740   -0.2056   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    0.9317    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9582   -0.8207    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -1.9876   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -0.7570   -1.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -2.2910   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -0.9932    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    2.8309   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  6
  8 24  1  0
  8 25  1  0
 11 26  1  0
M  END
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3D SDF for HMDB0301757 (L-Lysine hydrochloride)


  Mrv0541 02241220442D          

 11  9  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7180   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4325    0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4325    1.0312    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5759   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2904    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0301757

> <DATABASE_NAME>
hmdb

> <SMILES>
Cl.NCCCC[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1

> <INCHI_KEY>
BVHLGVCQOALMSV-JEDNCBNOSA-N

> <FORMULA>
C6H15ClN2O2

> <MOLECULAR_WEIGHT>
182.649

> <EXACT_MASS>
182.082205441

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
15.867804482079274

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,6-diaminohexanoic acid hydrochloride

> <JCHEM_LOGP>
-3.2145347205442243

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7382862451336982

> <JCHEM_PKA_STRONGEST_BASIC>
10.28806162304154

> <JCHEM_POLAR_SURFACE_AREA>
89.33999999999999

> <JCHEM_REFRACTIVITY>
37.8095

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
L-lysine hydrochloride

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0301757 (L-Lysine hydrochloride)

HMDB0301757
     RDKit          3D
L-Lysine hydrochloride
 26 24  0  0  0  0  0  0  0  0999 V2000
    0.6888    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6825    1.4756    0.4637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8678    0.0603    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5933   -0.6532    0.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -0.1410   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936   -0.9050    0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0233   -0.5002   -0.6801 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1133   -1.3188   -0.1850 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3747    0.9074   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4883    1.2253   -0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    1.9578   -0.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4821    1.8724    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039    2.0271   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6642   -0.3618    0.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1314   -0.1533   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -1.7393    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3333   -0.4607    1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6740   -0.2056   -1.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3087    0.9317    0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9582   -0.8207    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6259   -1.9876   -0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -0.7570   -1.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7358   -2.2910   -0.0811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -0.9932    0.8050 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    2.8309   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  6
  8 24  1  0
  8 25  1  0
 11 26  1  0
M  END
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PDB for HMDB0301757 (L-Lysine hydrochloride)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Cl   UNK     0       0.000   0.000   0.000  0.00  0.00          Cl+0
HETATM    2  O   UNK     0       3.740   0.385   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.074  -0.385   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       5.074  -1.925   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.407   0.385   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.407   1.925   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       7.741  -0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.075   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.408  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.742   0.385   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      13.076  -0.385   0.000  0.00  0.00           N+0
CONECT    2    3                                                            
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   18    0
END
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3D PDB for HMDB0301757 (L-Lysine hydrochloride)

COMPND    HMDB0301757
HETATM    1 CL1  UNL     1       0.689   0.000   0.000  1.00  0.00          CL  
HETATM    2  N1  UNL     1      -2.683   1.476   0.464  1.00  0.00           N  
HETATM    3  C1  UNL     1      -2.868   0.060   0.216  1.00  0.00           C  
HETATM    4  C2  UNL     1      -1.593  -0.653   0.551  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.437  -0.141  -0.306  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.794  -0.905   0.093  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.023  -0.500  -0.680  1.00  0.00           C  
HETATM    8  N2  UNL     1       3.113  -1.319  -0.185  1.00  0.00           N  
HETATM    9  C6  UNL     1       2.375   0.907  -0.562  1.00  0.00           C  
HETATM   10  O1  UNL     1       3.488   1.225  -0.077  1.00  0.00           O  
HETATM   11  O2  UNL     1       1.553   1.958  -0.953  1.00  0.00           O  
HETATM   12  H1  UNL     1      -0.689   0.000   0.000  1.00  0.00           H  
HETATM   13  H2  UNL     1      -3.482   1.872   1.023  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.504   2.027  -0.387  1.00  0.00           H  
HETATM   15  H4  UNL     1      -3.664  -0.362   0.863  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.131  -0.153  -0.842  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.701  -1.739   0.375  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.333  -0.461   1.623  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.674  -0.206  -1.367  1.00  0.00           H  
HETATM   20  H9  UNL     1      -0.309   0.932   0.010  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.958  -0.821   1.169  1.00  0.00           H  
HETATM   22  H11 UNL     1       0.626  -1.988  -0.124  1.00  0.00           H  
HETATM   23  H12 UNL     1       1.875  -0.757  -1.763  1.00  0.00           H  
HETATM   24  H13 UNL     1       2.736  -2.291  -0.081  1.00  0.00           H  
HETATM   25  H14 UNL     1       3.295  -0.993   0.805  1.00  0.00           H  
HETATM   26  H15 UNL     1       1.543   2.831  -0.408  1.00  0.00           H  
CONECT    1   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5   17   18
CONECT    5    6   19   20
CONECT    6    7   21   22
CONECT    7    8    9   23
CONECT    8   24   25
CONECT    9   10   10   11
CONECT   11   26
END
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SMILES for HMDB0301757 (L-Lysine hydrochloride)

Cl.NCCCC[C@H](N)C(O)=O
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INCHI for HMDB0301757 (L-Lysine hydrochloride)

InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(S)-2,6-Diaminohexanoic acid monohydrochlorideChEBI
L-alpha,Epsilondiaminocaproic acid monohydrochlorideChEBI
L-Lysine monohydrochlorideKegg
(S)-2,6-Diaminohexanoate monohydrochlorideGenerator
L-a,Epsilondiaminocaproate monohydrochlorideGenerator
L-a,Epsilondiaminocaproic acid monohydrochlorideGenerator
L-alpha,Epsilondiaminocaproate monohydrochlorideGenerator
L-Α,epsilondiaminocaproate monohydrochlorideGenerator
L-Α,epsilondiaminocaproic acid monohydrochlorideGenerator
EnisylMeSH
Acetate, lysineMeSH
L-LysineMeSH
Lysine hydrochlorideMeSH
L LysineMeSH
LysineMeSH
Lysine acetateMeSH
Chemical FormulaC6H15ClN2O2
Average Molecular Weight182.649
Monoisotopic Molecular Weight182.082205441
IUPAC Name(2S)-2,6-diaminohexanoic acid hydrochloride
Traditional NameL-lysine hydrochloride
CAS Registry Number10098-89-2
SMILES
Cl.NCCCC[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C6H14N2O2.ClH/c7-4-2-1-3-5(8)6(9)10;/h5H,1-4,7-8H2,(H,9,10);1H/t5-;/m0./s1
InChI KeyBVHLGVCQOALMSV-JEDNCBNOSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Amine
  • Hydrochloride
  • Hydrocarbon derivative
  • Organic oxide
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-3.2ChemAxon
pKa (Strongest Acidic)2.74ChemAxon
pKa (Strongest Basic)10.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area89.34 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.81 m³·mol⁻¹ChemAxon
Polarizability15.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+139.99832859911
AllCCS[M+H-H2O]+136.13632859911
AllCCS[M+Na]+144.62632859911
AllCCS[M+NH4]+143.59132859911
AllCCS[M-H]-135.68832859911
AllCCS[M+Na-2H]-138.1632859911
AllCCS[M+HCOO]-140.93332859911
DeepCCS[M+H]+134.77230932474
DeepCCS[M-H]-131.04830932474
DeepCCS[M-2H]-168.27230932474
DeepCCS[M+Na]+143.65630932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Lysine hydrochloride,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C1579.6Semi standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C1678.3Standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C2345.0Standard polar33892256
L-Lysine hydrochloride,2TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C1618.5Semi standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C1735.8Standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C2354.6Standard polar33892256
L-Lysine hydrochloride,2TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O1722.9Semi standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O1737.3Standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O2247.7Standard polar33892256
L-Lysine hydrochloride,2TMS,isomer #4C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C1854.0Semi standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #4C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C1770.1Standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #4C[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C2773.3Standard polar33892256
L-Lysine hydrochloride,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C1731.7Semi standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C1705.9Standard non polar33892256
L-Lysine hydrochloride,2TMS,isomer #5C[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C2500.2Standard polar33892256
L-Lysine hydrochloride,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1715.3Semi standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1842.6Standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1896.4Standard polar33892256
L-Lysine hydrochloride,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C1783.0Semi standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C1800.7Standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C2231.6Standard polar33892256
L-Lysine hydrochloride,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C1823.3Semi standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C1887.9Standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C2276.5Standard polar33892256
L-Lysine hydrochloride,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1915.8Semi standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1873.0Standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2136.6Standard polar33892256
L-Lysine hydrochloride,3TMS,isomer #5C[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1875.1Semi standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #5C[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1866.5Standard non polar33892256
L-Lysine hydrochloride,3TMS,isomer #5C[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2048.9Standard polar33892256
L-Lysine hydrochloride,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1907.7Semi standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1947.7Standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1874.9Standard polar33892256
L-Lysine hydrochloride,4TMS,isomer #2C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1891.0Semi standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #2C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1955.3Standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #2C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1836.3Standard polar33892256
L-Lysine hydrochloride,4TMS,isomer #3C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2051.7Semi standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #3C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1993.4Standard non polar33892256
L-Lysine hydrochloride,4TMS,isomer #3C[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2008.6Standard polar33892256
L-Lysine hydrochloride,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2136.7Semi standard non polar33892256
L-Lysine hydrochloride,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2055.8Standard non polar33892256
L-Lysine hydrochloride,5TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1835.1Standard polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2059.4Semi standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2069.3Standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2390.4Standard polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2071.1Semi standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2136.4Standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C2421.6Standard polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2226.0Semi standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2125.0Standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O2324.4Standard polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2263.6Semi standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2173.1Standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2691.0Standard polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2175.1Semi standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2105.7Standard non polar33892256
L-Lysine hydrochloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2462.8Standard polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2385.1Semi standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2384.0Standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2244.2Standard polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2448.9Semi standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2371.2Standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2395.3Standard polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2490.5Semi standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2462.7Standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2452.0Standard polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2597.7Semi standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2430.6Standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2376.8Standard polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2564.3Semi standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2419.3Standard non polar33892256
L-Lysine hydrochloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2317.5Standard polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2795.5Semi standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2656.7Standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2331.5Standard polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2800.7Semi standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2646.6Standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2305.6Standard polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2889.3Semi standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2706.0Standard non polar33892256
L-Lysine hydrochloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2377.6Standard polar33892256
L-Lysine hydrochloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3160.5Semi standard non polar33892256
L-Lysine hydrochloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2898.8Standard non polar33892256
L-Lysine hydrochloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2379.1Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 10V, Positive-QTOFsplash10-001i-0900000000-44c70d1854e93930481d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 20V, Positive-QTOFsplash10-001i-0900000000-44c70d1854e93930481d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 40V, Positive-QTOFsplash10-001i-0900000000-44c70d1854e93930481d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 10V, Negative-QTOFsplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 20V, Negative-QTOFsplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Lysine hydrochloride 40V, Negative-QTOFsplash10-001i-0900000000-c06dacaa43a44fce7e252016-08-03Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDBSALT001756
Phenol Explorer Compound IDNot Available
FooDB IDFDB000475
KNApSAcK IDNot Available
Chemspider ID62772
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound69568
PDB IDNot Available
ChEBI ID53633
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1253821
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available