NP-MRD: Showing NP-Card for Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8) (NP0332515)

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Record Information

Version

2.0

Created at

2024-02-15 23:15:10 UTC

Updated at

2024-09-03 04:19:38 UTC

NP-MRD ID

NP0332515

Natural Product DOI

https://doi.org/10.57994/1822

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8)

Description

Arabinosyl myo-inositol AI3:16(I4,i4,i8) belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. Based on a literature review very few articles have been published on Arabinosyl myo-inositol AI3:16(I4,i4,i8).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 02152422072D          

 40 41  0  0  1  0            999 V2000
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1460   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1460   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 14  1  0  0  0  0
 21 22  1  1  0  0  0
 12 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 25  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 27  1  0  0  0  0
 11 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END


  Mrv2104 02152422072D          

 40 41  0  0  1  0            999 V2000
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0026   -5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -5.7750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -4.5375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.1460   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1460   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  1  0  0  0
 14 13  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  6  0  0  0
 19 17  1  0  0  0  0
 19 20  1  6  0  0  0
 19 21  1  0  0  0  0
 21 14  1  0  0  0  0
 21 22  1  1  0  0  0
 12 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  1  0  0  0
 27 25  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 34 27  1  0  0  0  0
 11 34  1  0  0  0  0
 34 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332515

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCCC(=O)O[C@H]1[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C27H46O13/c1-12(2)9-7-8-10-16(29)37-23-22(40-27-20(33)17(30)15(28)11-36-27)19(32)18(31)21(38-25(34)13(3)4)24(23)39-26(35)14(5)6/h12-15,17-24,27-28,30-33H,7-11H2,1-6H3/t15-,17-,18-,19-,20+,21+,22+,23-,24+,27-/m0/s1

> <INCHI_KEY>
LLNCXHBBKCPKDQ-ZPDJPJEFSA-N

> <FORMULA>
C27H46O13

> <MOLECULAR_WEIGHT>
578.652

> <EXACT_MASS>
578.293841541

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
60.496412759974035

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(2-methylpropanoyl)oxy]-2-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl 6-methylheptanoate

> <JCHEM_LOGP>
1.6537397293333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.76820506281706

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.123980827538654

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265806620740254

> <JCHEM_POLAR_SURFACE_AREA>
198.51

> <JCHEM_REFRACTIVITY>
135.66260000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(2-methylpropanoyl)oxy]-2-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl 6-methylheptanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-FEB-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-FEB-24         0                                  
HETATM    1  C   UNK     0       8.002  -6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  -6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337  -6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.004  -6.160   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      16.004  -7.700   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      18.672  -6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      17.338  -8.470   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      18.672 -10.780   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      17.338 -13.090   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      14.670 -13.090   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      16.004 -10.780   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      20.005  -8.470   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      20.005 -10.010   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      21.339  -7.700   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      22.673  -8.470   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      21.339  -6.160   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      22.673  -5.390   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      24.006  -6.160   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      24.006  -7.700   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      25.340  -5.390   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      25.340  -3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      26.674  -6.160   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      20.005  -5.390   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      20.005  -3.850   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      22.673  -3.850   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      21.339  -1.540   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      22.673  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   34                                                  
CONECT   12   11   13   23                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   14   22                                                  
CONECT   22   21                                                            
CONECT   23   12   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   34                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34   27   11   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₇H₄₆O₁₃

Average Mass

578.6520 Da

Monoisotopic Mass

578.29384 Da

IUPAC Name

(1S,2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(2-methylpropanoyl)oxy]-2-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl 6-methylheptanoate

Traditional Name

(1S,2R,3S,4S,5R,6R)-3,4-dihydroxy-5,6-bis[(2-methylpropanoyl)oxy]-2-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}cyclohexyl 6-methylheptanoate

CAS Registry Number

Not Available

SMILES

CC(C)CCCCC(=O)O[C@H]1[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C

InChI Identifier

InChI=1S/C27H46O13/c1-12(2)9-7-8-10-16(29)37-23-22(40-27-20(33)17(30)15(28)11-36-27)19(32)18(31)21(38-25(34)13(3)4)24(23)39-26(35)14(5)6/h12-15,17-24,27-28,30-33H,7-11H2,1-6H3/t15-,17-,18-,19-,20+,21+,22+,23-,24+,27-/m0/s1

InChI Key

LLNCXHBBKCPKDQ-ZPDJPJEFSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCL3, experimental)	jonesar4@msu.edu	Not Available	Not Available	2024-02-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CD3CN, experimental)	jonesar4@msu.edu	Not Available	Not Available	2024-02-24	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Fatty acid ester
Cyclohexanol
Fatty acyl
Oxane
Monosaccharide
Cyclitol or derivatives
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	1.65	ChemAxon
pKa (Strongest Acidic)	12.12	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	198.51 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	135.66 m³·mol⁻¹	ChemAxon
Polarizability	60.5 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8) (NP0332515)

MOL for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

3D MOL for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

3D SDF for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

3D-SDF for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

PDB for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

3D PDB for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

SMILES for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

INCHI for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

Structure for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))

3D Structure for NP0332515 (Triacyl arabinosyl myo-inositol AI3:16(i4,i4,i8))