Np mrd loader

Showing NP-Card for muco-Inositol (NP0002616)

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Record Information
Version1.0
Created at2020-11-23 18:25:20 UTC
Updated at2021-08-12 19:51:40 UTC
NP-MRD IDNP0002616
Secondary Accession NumbersNone
Natural Product Identification
Common Namemuco-Inositol
Provided ByBMRBBMRB logo
DescriptionMuco-Inositol belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring. Muco-Inositol is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. muco-Inositol is found in Arabidopsis thaliana. It was first documented in 1976 (PMID: 1248014). Based on a literature review very few articles have been published on muco-Inositol (PMID: 17984079) (PMID: 20947069) (PMID: 19002999) (PMID: 15721347).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002616 (muco-Inositol)


     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.6491   -0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -1.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    1.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -3.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -3.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491   -0.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    0.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386    3.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    3.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  2 14  1  6
  3 15  1  1
  4 16  1  0
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
Download

3D MOL for NP0002616 (muco-Inositol)

NP0002616
     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.5729   -0.7370   -0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886   -0.3747    0.2874 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3112   -1.3405   -0.2116 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7148   -2.6348    0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026   -1.0136    0.5996 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9034   -1.9324    0.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.3866    0.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3716    0.4013   -0.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711    1.4294    0.2591 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3048    2.3051    1.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    1.0208   -0.0684 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2681    1.1759   -1.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2507   -0.0323   -0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -0.5386    1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364   -1.1970   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761   -3.2329    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.2456    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395   -1.5276   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609    0.6179    1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    0.3650   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    2.1061   -0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    3.0132    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    1.6873    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    1.2986   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  2 14  1  1
  3 15  1  6
  4 16  1  0
  5 17  1  1
  6 18  1  0
  7 19  1  1
  8 20  1  0
  9 21  1  6
 10 22  1  0
 11 23  1  1
 12 24  1  0
M  END
Download

3D SDF for NP0002616 (muco-Inositol)


     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
    2.6491   -0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895   -2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -1.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491    0.9642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895    2.7762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595    1.8121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0586   -0.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6491    0.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1595   -1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6386   -3.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4895   -2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -3.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6491   -0.9642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586    0.4512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595    1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386    3.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4200    3.2893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  2 14  1  6
  3 15  1  1
  4 16  1  0
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
> <DATABASE_ID>
NP0002616

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+

> <INCHI_KEY>
CDAISMWEOUEBRE-GNIYUCBRSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.156

> <EXACT_MASS>
180.063388106

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.014270297556315

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol

> <ALOGPS_LOGP>
-2.59

> <JCHEM_LOGP>
-3.782009652

> <ALOGPS_LOGS>
0.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.908097249605351

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.285497953856298

> <JCHEM_PKA_STRONGEST_BASIC>
-3.645759838065448

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
35.77499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.85e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0002616 (muco-Inositol)

NP0002616
     RDKit          3D

 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.5729   -0.7370   -0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886   -0.3747    0.2874 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3112   -1.3405   -0.2116 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7148   -2.6348    0.1055 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9026   -1.0136    0.5996 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9034   -1.9324    0.2350 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805    0.3866    0.4730 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3716    0.4013   -0.5387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3711    1.4294    0.2591 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3048    2.3051    1.3721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    1.0208   -0.0684 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2681    1.1759   -1.4527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2507   -0.0323   -0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4446   -0.5386    1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364   -1.1970   -1.2907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761   -3.2329    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6698   -1.2456    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4395   -1.5276   -0.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9609    0.6179    1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9880    0.3650   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7332    2.1061   -0.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0147    3.0132    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7803    1.6873    0.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    1.2986   -1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  2 14  1  1
  3 15  1  6
  4 16  1  0
  5 17  1  1
  6 18  1  0
  7 19  1  1
  8 20  1  0
  9 21  1  6
 10 22  1  0
 11 23  1  1
 12 24  1  0
M  END
Download

PDB for NP0002616 (muco-Inositol)

HEADER    PROTEIN                                 31-OCT-17   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   31-OCT-17         0                                  
HETATM    1  C   UNK     0      -3.750   0.748   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.084  -0.021   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.084  -1.562   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.750  -2.332   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.416  -1.562   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.416  -0.021   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -3.750   2.288   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -3.750  -3.872   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -6.417   0.748   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -6.417  -2.332   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.082   0.748   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.082  -2.332   0.000  0.00  0.00           O+0
CONECT    1    2    6    7                                                  
CONECT    2    1    3    9                                                  
CONECT    3    2    4   10                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6   12                                                  
CONECT    6    1    5   11                                                  
CONECT    7    1                                                            
CONECT    8    4                                                            
CONECT    9    2                                                            
CONECT   10    3                                                            
CONECT   11    6                                                            
CONECT   12    5                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for NP0002616 (muco-Inositol)

COMPND    NP0002616
HETATM    1  O1  UNL     1      -2.573  -0.737  -0.319  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.389  -0.375   0.287  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.311  -1.341  -0.212  1.00  0.00           C  
HETATM    4  O2  UNL     1      -0.715  -2.635   0.106  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.903  -1.014   0.600  1.00  0.00           C  
HETATM    6  O3  UNL     1       1.903  -1.932   0.235  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.380   0.387   0.473  1.00  0.00           C  
HETATM    8  O4  UNL     1       2.372   0.401  -0.539  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.371   1.429   0.259  1.00  0.00           C  
HETATM   10  O5  UNL     1       0.305   2.305   1.372  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.010   1.021  -0.068  1.00  0.00           C  
HETATM   12  O6  UNL     1      -1.268   1.176  -1.453  1.00  0.00           O  
HETATM   13  H1  UNL     1      -3.251  -0.032  -0.348  1.00  0.00           H  
HETATM   14  H2  UNL     1      -1.445  -0.539   1.391  1.00  0.00           H  
HETATM   15  H3  UNL     1      -0.136  -1.197  -1.291  1.00  0.00           H  
HETATM   16  H4  UNL     1       0.076  -3.233   0.070  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.670  -1.246   1.667  1.00  0.00           H  
HETATM   18  H6  UNL     1       2.440  -1.528  -0.488  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.961   0.618   1.416  1.00  0.00           H  
HETATM   20  H8  UNL     1       1.988   0.365  -1.433  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.733   2.106  -0.573  1.00  0.00           H  
HETATM   22  H10 UNL     1       1.015   3.013   1.298  1.00  0.00           H  
HETATM   23  H11 UNL     1      -1.780   1.687   0.420  1.00  0.00           H  
HETATM   24  H12 UNL     1      -2.239   1.299  -1.603  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   11   14
CONECT    3    4    5   15
CONECT    4   16
CONECT    5    6    7   17
CONECT    6   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   23
CONECT   12   24
END
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SMILES for NP0002616 (muco-Inositol)

O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
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INCHI for NP0002616 (muco-Inositol)

InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+
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Synonyms
ValueSource
(1R,2R,3S,4R,5R,6S)-Cyclohexane-1,2,3,4,5,6-hexolChEBI
1,2,4,5/3,6-cyclohexanehexolChEBI
muco-InositolHMDB
Chemical FormulaC6H12O6
Average Mass180.1560 Da
Monoisotopic Mass180.06339 Da
IUPAC Name(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol
Traditional Name(1R,2S,3S,4R,5S,6r)-cyclohexane-1,2,3,4,5,6-hexol
CAS Registry NumberNot Available
SMILES
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5+,6+
InChI KeyCDAISMWEOUEBRE-GNIYUCBRSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Arabidopsis thalianaLOTUS Database
Cephalotaxus fortuneiKNApSAcK Database
Taxus baccataKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as cyclohexanols. Cyclohexanols are compounds containing an alcohol group attached to a cyclohexane ring.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentCyclohexanols
Alternative ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-2.6ALOGPS
logP-3.8ChemAxon
logS0.43ALOGPS
pKa (Strongest Acidic)12.29ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity35.78 m³·mol⁻¹ChemAxon
Polarizability16.01 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0062138
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00040932
Chemspider ID16736990
KEGG Compound IDC06152
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMuco-Inositol
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID27987
Good Scents IDNot Available
References
General References
  1. Ulrich EL, Akutsu H, Doreleijers JF, Harano Y, Ioannidis YE, Lin J, Livny M, Mading S, Maziuk D, Miller Z, Nakatani E, Schulte CF, Tolmie DE, Kent Wenger R, Yao H, Markley JL: BioMagResBank. Nucleic Acids Res. 2008 Jan;36(Database issue):D402-8. doi: 10.1093/nar/gkm957. Epub 2007 Nov 4. [PubMed:17984079 ]
  2. Espelie KE, Anderson L: Selectively blocked derivatives of muco-inositol and their conversion into derivatives of epi- and cis-inositol. Carbohydr Res. 1976 Jan;46(1):53-66. doi: 10.1016/s0008-6215(00)83530-2. [PubMed:1248014 ]
  3. Mine T, Miyazaki T, Kajiwara H, Tateda N, Ajisaka K, Yamamoto T: A recombinant alpha-(2-->3)-sialyltransferase with an extremely broad acceptor substrate specificity from Photobacterium sp. JT-ISH-224 can transfer N-acetylneuraminic acid to inositols. Carbohydr Res. 2010 Nov 22;345(17):2485-90. doi: 10.1016/j.carres.2010.09.022. Epub 2010 Sep 25. [PubMed:20947069 ]
  4. Yap A, Nishiumi S, Yoshida K, Ashida H: Rat L6 myotubes as an in vitro model system to study GLUT4-dependent glucose uptake stimulated by inositol derivatives. Cytotechnology. 2007 Dec;55(2-3):103-8. doi: 10.1007/s10616-007-9107-y. Epub 2007 Oct 31. [PubMed:19002999 ]
  5. Miethchen R, Schmidt A, Neitzel K, Michalik M, Pundt T, Ruth W: Concentrated hydriodic acid in simultaneous deprotections of multifunctional inositols. Carbohydr Res. 2005 Mar 21;340(4):741-8. doi: 10.1016/j.carres.2004.11.031. [PubMed:15721347 ]