Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2021-09-24 10:41:50 UTC

Update Date

2021-09-24 10:41:50 UTC

HMDB ID

HMDB0304556

Secondary Accession Numbers

None

Metabolite Identification

Common Name

HMBOA tetrahexose

Description

Laminine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Based on a literature review very few articles have been published on Laminine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0304556
     RDKit          3D
HMBOA tetrahexose
 33 32  0  0  0  0  0  0  0  0999 V2000
   -2.7152    0.9528    1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    0.3257    0.3577 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.7059   -1.0435    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814    0.4000   -0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195    0.9988    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    0.9908   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -0.3057   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892   -1.1340   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -0.4431   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    0.7792    0.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519   -1.3398    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891   -2.3053   -0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0436   -1.1001    1.6148 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4070    0.2020    1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    1.7598    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675    1.4331    2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.3687    1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -1.7802    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731   -1.1276    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895    0.4162   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144   -0.5529   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    1.2839   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157    2.0539    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    0.5689    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    1.7575   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.4432   -1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789   -0.1566   -2.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -0.9274   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913   -2.0408   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.5794    0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878   -0.2266   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184    0.6223    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    1.4436   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
M  CHG  2   2   1  13  -1
M  END

HMDB0304556
     RDKit          3D
HMBOA tetrahexose
 33 32  0  0  0  0  0  0  0  0999 V2000
   -2.7152    0.9528    1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    0.3257    0.3577 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.7059   -1.0435    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814    0.4000   -0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195    0.9988    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    0.9908   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -0.3057   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892   -1.1340   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -0.4431   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    0.7792    0.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519   -1.3398    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891   -2.3053   -0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0436   -1.1001    1.6148 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4070    0.2020    1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    1.7598    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675    1.4331    2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.3687    1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -1.7802    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731   -1.1276    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895    0.4162   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144   -0.5529   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    1.2839   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157    2.0539    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    0.5689    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    1.7575   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.4432   -1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789   -0.1566   -2.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -0.9274   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913   -2.0408   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.5794    0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878   -0.2266   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184    0.6223    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    1.4436   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
M  CHG  2   2   1  13  -1
M  END

HEADER    PROTEIN                                 14-AUG-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-AUG-19         0                                  
HETATM    1  C   UNK     0      -4.358   0.564   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.255   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.795   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.357   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.691   2.104   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       3.644   3.644   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      -3.025   1.334   0.000  0.00  0.00           N+1
HETATM   12  O   UNK     0       6.311   2.104   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O-1
CONECT    1   11                                                            
CONECT    2   11                                                            
CONECT    3   11                                                            
CONECT    4    5    6                                                       
CONECT    5    4    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5   11                                                       
CONECT    8    6    9   10                                                  
CONECT    9    8   12   13                                                  
CONECT   10    8                                                            
CONECT   11    1    2    3    7                                             
CONECT   12    9                                                            
CONECT   13    9                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0304556
HETATM    1  C1  UNL     1      -2.715   0.953   1.413  1.00  0.00           C  
HETATM    2  N1  UNL     1      -1.886   0.326   0.358  1.00  0.00           N1+
HETATM    3  C2  UNL     1      -1.706  -1.044   0.815  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.681   0.400  -0.833  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.619   0.999   0.313  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.127   0.991  -0.958  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.563  -0.306  -1.514  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.489  -1.134  -0.698  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.808  -0.443  -0.412  1.00  0.00           C  
HETATM   10  N2  UNL     1       2.669   0.779   0.311  1.00  0.00           N  
HETATM   11  C9  UNL     1       3.752  -1.340   0.291  1.00  0.00           C  
HETATM   12  O1  UNL     1       4.289  -2.305  -0.284  1.00  0.00           O  
HETATM   13  O2  UNL     1       4.044  -1.100   1.615  1.00  0.00           O1-
HETATM   14  H1  UNL     1      -3.407   0.202   1.847  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.335   1.760   0.970  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.068   1.433   2.177  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.609  -1.369   1.421  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.612  -1.780   0.014  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.873  -1.128   1.542  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.790   0.416  -0.563  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.614  -0.553  -1.434  1.00  0.00           H  
HETATM   22  H9  UNL     1      -2.535   1.284  -1.455  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.816   2.054   0.657  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.024   0.569   1.130  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.946   1.758  -0.917  1.00  0.00           H  
HETATM   26  H13 UNL     1      -0.570   1.443  -1.740  1.00  0.00           H  
HETATM   27  H14 UNL     1       1.079  -0.157  -2.523  1.00  0.00           H  
HETATM   28  H15 UNL     1      -0.314  -0.927  -1.776  1.00  0.00           H  
HETATM   29  H16 UNL     1       1.791  -2.041  -1.312  1.00  0.00           H  
HETATM   30  H17 UNL     1       1.053  -1.579   0.216  1.00  0.00           H  
HETATM   31  H18 UNL     1       3.288  -0.227  -1.399  1.00  0.00           H  
HETATM   32  H19 UNL     1       2.818   0.622   1.339  1.00  0.00           H  
HETATM   33  H20 UNL     1       3.410   1.444  -0.013  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    4    5
CONECT    3   17   18   19
CONECT    4   20   21   22
CONECT    5    6   23   24
CONECT    6    7   25   26
CONECT    7    8   27   28
CONECT    8    9   29   30
CONECT    9   10   11   31
CONECT   10   32   33
CONECT   11   12   12   13
END

HMDB0304556
     RDKit          3D
HMBOA tetrahexose
 33 32  0  0  0  0  0  0  0  0999 V2000
   -2.7152    0.9528    1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856    0.3257    0.3577 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.7059   -1.0435    0.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6814    0.4000   -0.8333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195    0.9988    0.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268    0.9908   -0.9584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -0.3057   -1.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4892   -1.1340   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -0.4431   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    0.7792    0.3105 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519   -1.3398    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2891   -2.3053   -0.2844 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0436   -1.1001    1.6148 O   0  0  0  0  0  1  0  0  0  0  0  0
   -3.4070    0.2020    1.8473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355    1.7598    0.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0675    1.4331    2.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.3687    1.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6119   -1.7802    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8731   -1.1276    1.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7895    0.4162   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6144   -0.5529   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5351    1.2839   -1.4548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157    2.0539    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0242    0.5689    1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    1.7575   -0.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.4432   -1.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0789   -0.1566   -2.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3141   -0.9274   -1.7760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7913   -2.0408   -1.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.5794    0.2159 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878   -0.2266   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8184    0.6223    1.3388 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4100    1.4436   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  3 19  1  0
  4 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  6 25  1  0
  6 26  1  0
  7 27  1  0
  7 28  1  0
  8 29  1  0
  8 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
M  CHG  2   2   1  13  -1
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
5-Amino-5-carboxypentyltrimethylammonium	MeSH

Chemical Formula

C₉H₂₀N₂O₂

Average Molecular Weight

188.271

Monoisotopic Molecular Weight

188.152477892

IUPAC Name

2-amino-6-(trimethylazaniumyl)hexanoate

Traditional Name

2-amino-6-(trimethylammonio)hexanoate

CAS Registry Number

Not Available

SMILES

C[N+](C)(C)CCCCC(N)C([O-])=O

InChI Identifier

InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3

InChI Key

MXNRLFUSFKVQSK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acids

Alternative Parents

Substituents

Alpha-amino acid
Medium-chain fatty acid
Amino fatty acid
Fatty acyl
Fatty acid
Quaternary ammonium salt
Tetraalkylammonium salt
Carboxylic acid salt
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Primary amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Amine
Organic zwitterion
Organic salt
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0304556)

Food

Cereal and cereal product

Cereal

Cereal product

Cereals and cereal products (FooDB: FOOD00858)

Soy

Soy bean (FooDB: FOOD00085)

Herb and spice

Herb

Amaranth (FooDB: FOOD00288)
Teff (FooDB: FOOD00489)

Other seed

Quinoa (FooDB: FOOD00441)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.2	ALOGPS
logP	-6.2	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	2.41	ChemAxon
pKa (Strongest Basic)	9.53	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	66.15 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	74.63 m³·mol⁻¹	ChemAxon
Polarizability	21.66 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	142.821	32859911
AllCCS	[M+H-H2O]+	139.259	32859911
AllCCS	[M+Na]+	147.086	32859911
AllCCS	[M+NH4]+	146.132	32859911
AllCCS	[M-H]-	151.066	32859911
AllCCS	[M+Na-2H]-	152.304	32859911
AllCCS	[M+HCOO]-	153.724	32859911
DeepCCS	[M+H]+	139.852	30932474
DeepCCS	[M-H]-	136.585	30932474
DeepCCS	[M-2H]-	173.406	30932474
DeepCCS	[M+Na]+	148.956	30932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
HMBOA tetrahexose,1TMS,isomer #1	C[N+](C)(C)CCCCC(N[Si](C)(C)C)C(=O)[O-]	1514.2	Semi standard non polar	33892256
HMBOA tetrahexose,1TMS,isomer #1	C[N+](C)(C)CCCCC(N[Si](C)(C)C)C(=O)[O-]	1555.0	Standard non polar	33892256
HMBOA tetrahexose,1TMS,isomer #1	C[N+](C)(C)CCCCC(N[Si](C)(C)C)C(=O)[O-]	1883.9	Standard polar	33892256
HMBOA tetrahexose,2TMS,isomer #1	C[N+](C)(C)CCCCC(C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	1723.5	Semi standard non polar	33892256
HMBOA tetrahexose,2TMS,isomer #1	C[N+](C)(C)CCCCC(C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	1706.2	Standard non polar	33892256
HMBOA tetrahexose,2TMS,isomer #1	C[N+](C)(C)CCCCC(C(=O)[O-])N([Si](C)(C)C)[Si](C)(C)C	1820.8	Standard polar	33892256
HMBOA tetrahexose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCC[N+](C)(C)C)C(=O)[O-]	1717.8	Semi standard non polar	33892256
HMBOA tetrahexose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCC[N+](C)(C)C)C(=O)[O-]	1766.7	Standard non polar	33892256
HMBOA tetrahexose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCCC[N+](C)(C)C)C(=O)[O-]	1991.8	Standard polar	33892256
HMBOA tetrahexose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(CCCC[N+](C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	2119.4	Semi standard non polar	33892256
HMBOA tetrahexose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(CCCC[N+](C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	2113.6	Standard non polar	33892256
HMBOA tetrahexose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(C(CCCC[N+](C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C	1961.5	Standard polar	33892256

Spectra

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB093492

KNApSAcK ID

C00051192

Chemspider ID

140379

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

159659

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for HMBOA tetrahexose (HMDB0304556)

MOL for HMDB0304556 (HMBOA tetrahexose)

3D MOL for HMDB0304556 (HMBOA tetrahexose)

3D SDF for HMDB0304556 (HMBOA tetrahexose)

3D-SDF for HMDB0304556 (HMBOA tetrahexose)

PDB for HMDB0304556 (HMBOA tetrahexose)

3D PDB for HMDB0304556 (HMBOA tetrahexose)

SMILES for HMDB0304556 (HMBOA tetrahexose)

INCHI for HMDB0304556 (HMBOA tetrahexose)

Structure for HMDB0304556 (HMBOA tetrahexose)

3D Structure for HMDB0304556 (HMBOA tetrahexose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized