NP-MRD: Showing NP-Card for 1,4-b-D-Mannan (NP0044497)

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Record Information

Version

2.0

Created at

2022-02-14 20:57:47 UTC

Updated at

2022-03-10 22:16:46 UTC

NP-MRD ID

NP0044497

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1,4-b-D-Mannan

Description

1,4-B-D-Mannan belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. It is generated from GDP-D-mannose via the enzyme transferases and is then converted to D-mannose via the enzyme mannan 1,2-(1,3)-alpha-mannosidase. 1,4-B-D-Mannan is produced from GDP-D-mannose by the action of. 1,4-B-D-Mannan is an extremely weak basic (essentially neutral) compound (based on its pKa). An example structure is given, and Mannan is a polymer that can contain more than 10 individual sugars. 1,4-B-D-Mannan is involved in the fructose and mannose metabolism system. 1,4-B-D-Mannan is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042000322D          

161170  0  0  1  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309042000322D          

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    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737   -5.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -3.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8592   -7.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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161 60  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0044497

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1(O)O[C@]([H])(CO)[C@@]([H])(OC2([H])O[C@]([H])(CO)[C@@]([H])(OC3([H])O[C@]([H])(CO)[C@@]([H])(OC4([H])O[C@]([H])(CO)[C@@]([H])(OC5([H])O[C@]([H])(CO)[C@@]([H])(OC6([H])O[C@]([H])(CO)[C@@]([H])(OC7([H])O[C@]([H])(CO)[C@@]([H])(OC8([H])O[C@]([H])(CO)[C@@]([H])(OC9([H])O[C@]([H])(CO)[C@@]([H])(OC%10([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]%10([H])O)[C@]([H])(O)[C@]9([H])O)[C@]([H])(O)[C@]8([H])O)[C@]([H])(O)[C@]7([H])O)[C@]([H])(O)[C@]6([H])O)[C@]([H])(O)[C@]5([H])O)[C@]([H])(O)[C@]4([H])O)[C@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?/m1/s1

> <INCHI_KEY>
RJQKKZNUWRIHCS-YDPWGIMBSA-N

> <FORMULA>
C60H102O51

> <MOLECULAR_WEIGHT>
1639.4213

> <EXACT_MASS>
1638.538798986

> <JCHEM_ACCEPTOR_COUNT>
51

> <JCHEM_ATOM_COUNT>
213

> <JCHEM_AVERAGE_POLARIZABILITY>
152.6029164574553

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
32

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol

> <ALOGPS_LOGP>
-2.22

> <JCHEM_LOGP>
-18.870060028999998

> <ALOGPS_LOGS>
-0.58

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.640739965048246

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.131159730645475

> <JCHEM_PKA_STRONGEST_BASIC>
-3.947988065882048

> <JCHEM_POLAR_SURFACE_AREA>
822.7300000000005

> <JCHEM_REFRACTIVITY>
327.6430999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.31e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0      14.671  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.003  17.710   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.671 -10.010   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.001  16.170   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -10.669  18.480   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      14.671 -11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.002  18.480   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -8.002  20.020   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -8.002  13.860   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.671 -14.630   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -9.336  17.710   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      -9.336  20.790   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      -8.002  15.400   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      14.671  -5.390   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0     -13.337  18.480   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      -4.001  17.710   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      -8.002   9.240   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   69  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      20.005  -6.930   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0      -6.668  17.710   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0      17.338 -14.630   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0       9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      -6.668  20.790   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      20.005 -10.010   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0      -9.336  13.090   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0      14.671 -16.170   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   91  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   92  O   UNK     0      -9.336  22.330   0.000  0.00  0.00           O+0
HETATM   93  O   UNK     0     -10.669  20.020   0.000  0.00  0.00           O+0
HETATM   94  O   UNK     0      16.004  -9.240   0.000  0.00  0.00           O+0
HETATM   95  O   UNK     0      -6.668  16.170   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      13.337 -12.320   0.000  0.00  0.00           O+0
HETATM   97  O   UNK     0      -5.335  10.780   0.000  0.00  0.00           O+0
HETATM   98  O   UNK     0       9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   99  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM  100  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM  101  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM  102  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM  103  O   UNK     0      -9.336  16.170   0.000  0.00  0.00           O+0
HETATM  104  O   UNK     0      17.338 -11.550   0.000  0.00  0.00           O+0
HETATM  105  O   UNK     0      -4.001  13.090   0.000  0.00  0.00           O+0
HETATM  106  O   UNK     0      12.003 -14.630   0.000  0.00  0.00           O+0
HETATM  107  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM  108  O   UNK     0       6.668 -11.550   0.000  0.00  0.00           O+0
HETATM  109  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM  110  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM  111  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM  112  H   UNK     0      16.004  -6.160   0.000  0.00  0.00           H+0
HETATM  113  H   UNK     0     -10.669  16.940   0.000  0.00  0.00           H+0
HETATM  114  H   UNK     0      16.004 -10.780   0.000  0.00  0.00           H+0
HETATM  115  H   UNK     0      -4.001  14.630   0.000  0.00  0.00           H+0
HETATM  116  H   UNK     0      12.003 -13.090   0.000  0.00  0.00           H+0
HETATM  117  H   UNK     0      -5.335   7.700   0.000  0.00  0.00           H+0
HETATM  118  H   UNK     0       5.335 -10.780   0.000  0.00  0.00           H+0
HETATM  119  H   UNK     0       1.334   5.390   0.000  0.00  0.00           H+0
HETATM  120  H   UNK     0       6.668  -3.850   0.000  0.00  0.00           H+0
HETATM  121  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
HETATM  122  H   UNK     0      18.672  -6.160   0.000  0.00  0.00           H+0
HETATM  123  H   UNK     0      20.005  -8.470   0.000  0.00  0.00           H+0
HETATM  124  H   UNK     0      -8.002  16.940   0.000  0.00  0.00           H+0
HETATM  125  H   UNK     0      17.338 -13.090   0.000  0.00  0.00           H+0
HETATM  126  H   UNK     0      -5.335  12.320   0.000  0.00  0.00           H+0
HETATM  127  H   UNK     0      10.669 -15.400   0.000  0.00  0.00           H+0
HETATM  128  H   UNK     0      -2.667   7.700   0.000  0.00  0.00           H+0
HETATM  129  H   UNK     0       8.002 -10.780   0.000  0.00  0.00           H+0
HETATM  130  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM  131  H   UNK     0       5.335  -6.160   0.000  0.00  0.00           H+0
HETATM  132  H   UNK     0       2.667  -1.540   0.000  0.00  0.00           H+0
HETATM  133  H   UNK     0      -6.668  19.250   0.000  0.00  0.00           H+0
HETATM  134  H   UNK     0      17.338  -8.470   0.000  0.00  0.00           H+0
HETATM  135  H   UNK     0      -8.002  12.320   0.000  0.00  0.00           H+0
HETATM  136  H   UNK     0      16.004 -15.400   0.000  0.00  0.00           H+0
HETATM  137  H   UNK     0      -1.334  10.010   0.000  0.00  0.00           H+0
HETATM  138  H   UNK     0       8.002 -15.400   0.000  0.00  0.00           H+0
HETATM  139  H   UNK     0      -2.667   3.080   0.000  0.00  0.00           H+0
HETATM  140  H   UNK     0       9.336  -8.470   0.000  0.00  0.00           H+0
HETATM  141  H   UNK     0       4.001   0.770   0.000  0.00  0.00           H+0
HETATM  142  H   UNK     0       2.667  -6.160   0.000  0.00  0.00           H+0
HETATM  143  H   UNK     0      -9.336  19.250   0.000  0.00  0.00           H+0
HETATM  144  H   UNK     0      14.671 -13.090   0.000  0.00  0.00           H+0
HETATM  145  H   UNK     0      -6.668  14.630   0.000  0.00  0.00           H+0
HETATM  146  H   UNK     0       9.336 -13.090   0.000  0.00  0.00           H+0
HETATM  147  H   UNK     0      -4.001  10.010   0.000  0.00  0.00           H+0
HETATM  148  H   UNK     0       6.668  -8.470   0.000  0.00  0.00           H+0
HETATM  149  H   UNK     0      -1.334   5.390   0.000  0.00  0.00           H+0
HETATM  150  H   UNK     0       4.001  -3.850   0.000  0.00  0.00           H+0
HETATM  151  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM  152  H   UNK     0      -8.002  21.560   0.000  0.00  0.00           H+0
HETATM  153  H   UNK     0      18.672 -10.780   0.000  0.00  0.00           H+0
HETATM  154  H   UNK     0      -9.336  14.630   0.000  0.00  0.00           H+0
HETATM  155  H   UNK     0      13.337 -15.400   0.000  0.00  0.00           H+0
HETATM  156  H   UNK     0      -2.667  12.320   0.000  0.00  0.00           H+0
HETATM  157  H   UNK     0       6.668 -13.090   0.000  0.00  0.00           H+0
HETATM  158  H   UNK     0      -4.001   5.390   0.000  0.00  0.00           H+0
HETATM  159  H   UNK     0       8.002  -6.160   0.000  0.00  0.00           H+0
HETATM  160  H   UNK     0       2.667   3.080   0.000  0.00  0.00           H+0
HETATM  161  H   UNK     0       1.334  -3.850   0.000  0.00  0.00           H+0
CONECT    1   11   61                                                       
CONECT    2   12   62                                                       
CONECT    3   13   63                                                       
CONECT    4   14   64                                                       
CONECT    5   15   65                                                       
CONECT    6   16   66                                                       
CONECT    7   17   67                                                       
CONECT    8   18   68                                                       
CONECT    9   19   69                                                       
CONECT   10   20   70                                                       
CONECT   11    1   21   94  112                                             
CONECT   12    2   42   93  113                                             
CONECT   13    3   43   96  114                                             
CONECT   14    4   44   95  115                                             
CONECT   15    5   45   98  116                                             
CONECT   16    6   46   97  117                                             
CONECT   17    7   47  100  118                                             
CONECT   18    8   48   99  119                                             
CONECT   19    9   49  102  120                                             
CONECT   20   10   50  101  121                                             
CONECT   21   11   22   71  122                                             
CONECT   22   21   33   72  123                                             
CONECT   23   32   42   73  124                                             
CONECT   24   35   43   74  125                                             
CONECT   25   34   44   75  126                                             
CONECT   26   37   45   76  127                                             
CONECT   27   36   46   77  128                                             
CONECT   28   39   47   78  129                                             
CONECT   29   38   48   79  130                                             
CONECT   30   41   49   80  131                                             
CONECT   31   40   50   81  132                                             
CONECT   32   23   51   82  133                                             
CONECT   33   22   52   83  134                                             
CONECT   34   25   53   84  135                                             
CONECT   35   24   54   85  136                                             
CONECT   36   27   55   86  137                                             
CONECT   37   26   56   87  138                                             
CONECT   38   29   57   88  139                                             
CONECT   39   28   58   89  140                                             
CONECT   40   31   59   90  141                                             
CONECT   41   30   60   91  142                                             
CONECT   42   12   23  103  143                                             
CONECT   43   13   24  104  144                                             
CONECT   44   14   25  105  145                                             
CONECT   45   15   26  106  146                                             
CONECT   46   16   27  107  147                                             
CONECT   47   17   28  108  148                                             
CONECT   48   18   29  109  149                                             
CONECT   49   19   30  110  150                                             
CONECT   50   20   31  111  151                                             
CONECT   51   32   92   93  152                                             
CONECT   52   33   94  104  153                                             
CONECT   53   34   95  103  154                                             
CONECT   54   35   96  106  155                                             
CONECT   55   36   97  105  156                                             
CONECT   56   37   98  108  157                                             
CONECT   57   38   99  107  158                                             
CONECT   58   39  100  110  159                                             
CONECT   59   40  101  109  160                                             
CONECT   60   41  102  111  161                                             
CONECT   61    1                                                            
CONECT   62    2                                                            
CONECT   63    3                                                            
CONECT   64    4                                                            
CONECT   65    5                                                            
CONECT   66    6                                                            
CONECT   67    7                                                            
CONECT   68    8                                                            
CONECT   69    9                                                            
CONECT   70   10                                                            
CONECT   71   21                                                            
CONECT   72   22                                                            
CONECT   73   23                                                            
CONECT   74   24                                                            
CONECT   75   25                                                            
CONECT   76   26                                                            
CONECT   77   27                                                            
CONECT   78   28                                                            
CONECT   79   29                                                            
CONECT   80   30                                                            
CONECT   81   31                                                            
CONECT   82   32                                                            
CONECT   83   33                                                            
CONECT   84   34                                                            
CONECT   85   35                                                            
CONECT   86   36                                                            
CONECT   87   37                                                            
CONECT   88   38                                                            
CONECT   89   39                                                            
CONECT   90   40                                                            
CONECT   91   41                                                            
CONECT   92   51                                                            
CONECT   93   12   51                                                       
CONECT   94   11   52                                                       
CONECT   95   14   53                                                       
CONECT   96   13   54                                                       
CONECT   97   16   55                                                       
CONECT   98   15   56                                                       
CONECT   99   18   57                                                       
CONECT  100   17   58                                                       
CONECT  101   20   59                                                       
CONECT  102   19   60                                                       
CONECT  103   42   53                                                       
CONECT  104   43   52                                                       
CONECT  105   44   55                                                       
CONECT  106   45   54                                                       
CONECT  107   46   57                                                       
CONECT  108   47   56                                                       
CONECT  109   48   59                                                       
CONECT  110   49   58                                                       
CONECT  111   50   60                                                       
CONECT  112   11                                                            
CONECT  113   12                                                            
CONECT  114   13                                                            
CONECT  115   14                                                            
CONECT  116   15                                                            
CONECT  117   16                                                            
CONECT  118   17                                                            
CONECT  119   18                                                            
CONECT  120   19                                                            
CONECT  121   20                                                            
CONECT  122   21                                                            
CONECT  123   22                                                            
CONECT  124   23                                                            
CONECT  125   24                                                            
CONECT  126   25                                                            
CONECT  127   26                                                            
CONECT  128   27                                                            
CONECT  129   28                                                            
CONECT  130   29                                                            
CONECT  131   30                                                            
CONECT  132   31                                                            
CONECT  133   32                                                            
CONECT  134   33                                                            
CONECT  135   34                                                            
CONECT  136   35                                                            
CONECT  137   36                                                            
CONECT  138   37                                                            
CONECT  139   38                                                            
CONECT  140   39                                                            
CONECT  141   40                                                            
CONECT  142   41                                                            
CONECT  143   42                                                            
CONECT  144   43                                                            
CONECT  145   44                                                            
CONECT  146   45                                                            
CONECT  147   46                                                            
CONECT  148   47                                                            
CONECT  149   48                                                            
CONECT  150   49                                                            
CONECT  151   50                                                            
CONECT  152   51                                                            
CONECT  153   52                                                            
CONECT  154   53                                                            
CONECT  155   54                                                            
CONECT  156   55                                                            
CONECT  157   56                                                            
CONECT  158   57                                                            
CONECT  159   58                                                            
CONECT  160   59                                                            
CONECT  161   60                                                            
MASTER        0    0    0    0    0    0    0    0  161    0  340    0
END

View in JSmol

Synonyms

Value	Source
1,4-beta-D-Mannan	HMDB
1,4-beta-delta-Mannan	HMDB

Chemical Formula

C₆₀H₁₀₂O₅₁

Average Mass

1639.4213 Da

Monoisotopic Mass

1638.53880 Da

IUPAC Name

(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-5-{[(3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

[H]C1(O)O[C@]([H])(CO)[C@@]([H])(OC2([H])O[C@]([H])(CO)[C@@]([H])(OC3([H])O[C@]([H])(CO)[C@@]([H])(OC4([H])O[C@]([H])(CO)[C@@]([H])(OC5([H])O[C@]([H])(CO)[C@@]([H])(OC6([H])O[C@]([H])(CO)[C@@]([H])(OC7([H])O[C@]([H])(CO)[C@@]([H])(OC8([H])O[C@]([H])(CO)[C@@]([H])(OC9([H])O[C@]([H])(CO)[C@@]([H])(OC%10([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@]%10([H])O)[C@]([H])(O)[C@]9([H])O)[C@]([H])(O)[C@]8([H])O)[C@]([H])(O)[C@]7([H])O)[C@]([H])(O)[C@]6([H])O)[C@]([H])(O)[C@]5([H])O)[C@]([H])(O)[C@]4([H])O)[C@]([H])(O)[C@]3([H])O)[C@]([H])(O)[C@]2([H])O)[C@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C60H102O51/c61-1-11-21(71)22(72)33(83)52(94-11)104-43-13(3-63)96-54(35(85)24(43)74)106-45-15(5-65)98-56(37(87)26(45)76)108-47-17(7-67)100-58(39(89)28(47)78)110-49-19(9-69)102-60(41(91)30(49)80)111-50-20(10-70)101-59(40(90)31(50)81)109-48-18(8-68)99-57(38(88)29(48)79)107-46-16(6-66)97-55(36(86)27(46)77)105-44-14(4-64)95-53(34(84)25(44)75)103-42-12(2-62)93-51(92)32(82)23(42)73/h11-92H,1-10H2/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50-,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?/m1/s1

InChI Key

RJQKKZNUWRIHCS-YDPWGIMBSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abelmoschus esculentus	FooDB	FooDB
Actinidia chinensis	FooDB	FooDB
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	FooDB
Allium ampeloprasum	FooDB	FooDB
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	FooDB
Allium cepa L.	FooDB	FooDB
Allium fistulosum	FooDB	FooDB
Allium sativum	FooDB	FooDB
Allium schoenoprasum	FooDB	FooDB
Allium tuberosum	FooDB	FooDB
Aloysia triphylla	FooDB	FooDB
Amaranthus	FooDB	FooDB
Amelanchier alnifolia	FooDB	FooDB
Anacardium occidentale	FooDB	FooDB
Ananas comosus	FooDB	FooDB
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anethum graveolens	FooDB	FooDB
Angelica keiskei	FooDB	FooDB
Annona cherimola	FooDB	FooDB
Annona muricata	FooDB	FooDB
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anser anser	FooDB	FooDB
Anthriscus cerefolium	FooDB	FooDB
Apium graveolens	FooDB	FooDB
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	FooDB
Apium graveolens var. secalinum	FooDB	FooDB
Arachis hypogaea	FooDB	FooDB
Arctium lappa	FooDB	FooDB
Armoracia rusticana	FooDB	FooDB
Artemisia dracunculus	FooDB	FooDB
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Asparagus officinalis	FooDB	FooDB
Attalea speciosa	FooDB	FooDB
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa L.	FooDB	FooDB
Averrhoa carambola	FooDB	FooDB
Basella alba	FooDB	FooDB
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	FooDB
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	FooDB
Bison bison	FooDB	FooDB
Borago officinalis	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Brassica alboglabra	FooDB	FooDB
Brassica juncea	FooDB	FooDB
Brassica napus	FooDB	FooDB
Brassica napus var. napus	FooDB	FooDB
Brassica oleracea	FooDB	FooDB
Brassica oleracea var. botrytis	FooDB	FooDB
Brassica oleracea var. capitata	FooDB	FooDB
Brassica oleracea var. gemmifera	FooDB	FooDB
Brassica oleracea var. gongylodes	FooDB	FooDB
Brassica oleracea var. italica	FooDB	FooDB
Brassica oleracea var. sabauda	FooDB	FooDB
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	FooDB
Brassica rapa ssp. chinensis	FooDB	FooDB
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	FooDB
Brassica ruvo	FooDB	FooDB
Brosimum alicastrum	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Byrsonima crassifolia	FooDB	FooDB
Cajanus cajan	FooDB	FooDB
Canarium ovatum	FooDB	FooDB
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	FooDB
Capparis spinosa	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Capsicum annuum	FooDB	FooDB
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	FooDB
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	FooDB
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	FooDB
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	FooDB
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Ceratonia siliqua	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Chenopodium album	FooDB	FooDB
Chenopodium quinoa	FooDB	FooDB
Chrysanthemum coronarium	FooDB	FooDB
Cicer arietinum	FooDB	FooDB
Cichorium endivia	FooDB	FooDB
Cichorium intybus	FooDB	FooDB
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	FooDB
Cirsium	FooDB	FooDB
Citrullus lanatus	FooDB	FooDB
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	FooDB
Citrus aurantiifolia	FooDB	FooDB
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	FooDB
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	FooDB
Citrus reticulata	FooDB	FooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	FooDB
Cocos nucifera	FooDB	FooDB
Coffea arabica L.	FooDB	FooDB
Coffea canephora	FooDB	FooDB
Colocasia esculenta	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Corchorus olitorius	FooDB	FooDB
Coriandrum sativum L.	FooDB	FooDB
Corylus	FooDB	FooDB
Corylus avellana	FooDB	FooDB
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Cucumis melo	FooDB	FooDB
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	FooDB
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	FooDB
Cucurbita moschata	FooDB	FooDB
Cuminum cyminum	FooDB	FooDB
Curcuma longa	FooDB	FooDB
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	FooDB
Cynara cardunculus	FooDB	FooDB
Cynara scolymus	FooDB	FooDB
Daucus carota	FooDB	FooDB
Daucus carota ssp. sativus	FooDB	FooDB
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	FooDB
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	FooDB
Diospyros virginiana	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Durio zibethinus	FooDB	FooDB
Dysphania ambrosioides	FooDB	FooDB
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Elettaria cardamomum	FooDB	FooDB
Empetrum nigrum	FooDB	FooDB
Equus caballus	FooDB	FooDB
Eragrostis tef	FooDB	FooDB
Eriobotrya japonica	FooDB	FooDB
Eruca vesicaria subsp. Sativa	FooDB	FooDB
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Eutrema japonicum	FooDB	FooDB
Fagopyrum esculentum	FooDB	FooDB
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	FooDB
Ficus carica	FooDB	FooDB
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	FooDB
Fragaria x ananassa	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Garcinia mangostana	FooDB	FooDB
Gaylussacia baccata	FooDB	FooDB
Ginkgo biloba	FooDB	FooDB
Glycine max	FooDB	FooDB
Gossypium	FooDB	FooDB
Grifola frondosa	FooDB	FooDB
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus L.	FooDB	FooDB
Helianthus tuberosus	FooDB	FooDB
Hibiscus sabbariffa	FooDB	FooDB
Hippophae rhamnoides	FooDB	FooDB
Hordeum vulgare	FooDB	FooDB
Hyssopus officinalis L.	FooDB	FooDB
Illicium verum	FooDB	FooDB
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	FooDB
Juglans	FooDB	FooDB
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	FooDB
Juglans regia	FooDB	FooDB
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	FooDB
Lagenaria siceraria	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	FooDB
Lens culinaris	FooDB	FooDB
Lentinus edodes	FooDB	FooDB
Lepidium sativum	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Levisticum officinale	FooDB	FooDB
Linum usitatissimum	FooDB	FooDB
Litchi chinensis	FooDB	FooDB
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	FooDB
Macadamia	FooDB	FooDB
Macadamia tetraphylla	FooDB	FooDB
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	FooDB
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	FooDB
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Maranta arundinacea	FooDB	FooDB
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Medicago sativa	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Melissa officinalis L.	FooDB	FooDB
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Momordica charantia	FooDB	FooDB
Morchellaceae	FooDB	FooDB
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	FooDB
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Musa acuminata	FooDB	FooDB
Musa x paradisiaca	FooDB	FooDB
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	FooDB
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Nephelium lappaceum	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Nuphar lutea	FooDB	FooDB
Ocimum basilicum	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oenothera biennis	FooDB	FooDB
Olea europaea	FooDB	FooDB
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	FooDB
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	FooDB
Origanum X majoricum	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	FooDB
Ovis aries	FooDB	FooDB
Pachyrhizus erosus	FooDB	FooDB
Panax ginseng	FooDB	FooDB
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Passiflora edulis	FooDB	FooDB
Pastinaca sativa	FooDB	FooDB
Pediomelum esculentum	FooDB	FooDB
Perideridia oregana	FooDB	FooDB
Persea americana	FooDB	FooDB
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	FooDB
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Phoenix dactylifera	FooDB	FooDB
Photinia melanocarpa	FooDB	FooDB
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis philadelphica var. immaculata	FooDB	FooDB
Phytolacca americana	FooDB	FooDB
Pimenta dioica	FooDB	FooDB
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	FooDB
Pinus edulis	FooDB	FooDB
Piper nigrum L.	FooDB	FooDB
Pistacia vera	FooDB	FooDB
Pisum sativum	FooDB	FooDB
Pleurotus ostreatus	FooDB	FooDB
Polygonum alpinum	FooDB	FooDB
Portulaca oleracea	FooDB	FooDB
Pouteria sapota	FooDB	FooDB
Prunus armeniaca	FooDB	FooDB
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	FooDB
Prunus dulcis	FooDB	FooDB
Prunus persica	FooDB	FooDB
Prunus persica var. nucipersica	FooDB	FooDB
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	FooDB
Psophocarpus tetragonolobus	FooDB	FooDB
Punica granatum	FooDB	FooDB
Pyrus communis	FooDB	FooDB
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Raphanus sativus	FooDB	FooDB
Raphanus sativus var. longipinnatus	FooDB	FooDB
Raphanus sativus var. sativus	FooDB	FooDB
Rheum rhabarbarum	FooDB	FooDB
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	FooDB
Ribes rubrum	FooDB	FooDB
Ribes uva-crispa	FooDB	FooDB
Rosa	FooDB	FooDB
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	FooDB
Rubus occidentalis	FooDB	FooDB
Rubus spectabilis	FooDB	FooDB
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salvia elegans	FooDB	FooDB
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	FooDB
Salvia rosmarinus	FooDB	FooDB
Sambucus nigra	FooDB	FooDB
Sambucus nigra L.	FooDB	FooDB
Satureja hortensis L.	FooDB	FooDB
Satureja montana	FooDB	FooDB
Scorzonera hispanica	FooDB	FooDB
Secale cereale	FooDB	FooDB
Sechium edule	FooDB	FooDB
Sesamum indicum	FooDB	FooDB
Sesbania bispinosa	FooDB	FooDB
Sinapis alba	FooDB	FooDB
Sisymbrium	FooDB	FooDB
Solanum lycopersicum	FooDB	FooDB
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	FooDB
Solanum melongena	FooDB	FooDB
Solanum quitoense	FooDB	FooDB
Solanum tuberosum	FooDB	FooDB
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Syzygium aromaticum	FooDB	FooDB
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tamarindus indica	FooDB	FooDB
Taraxacum officinale	FooDB	FooDB
Tetragonia tetragonioides	FooDB	FooDB
Thelesperma	FooDB	FooDB
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	FooDB
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tragopogon porrifolius	FooDB	FooDB
Trigonella foenum-graecum	FooDB	FooDB
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	FooDB
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum turanicum	FooDB	FooDB
Typha angustifolia	FooDB	FooDB
Vaccinium	FooDB	FooDB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	FooDB
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	FooDB
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Verbena officinalis	FooDB	FooDB
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	FooDB
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	FooDB
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	FooDB
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Vitis	FooDB	FooDB
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera L.	FooDB	FooDB
Xanthosoma sagittifolium	FooDB	FooDB
Zea mays L.	FooDB	FooDB
Zingiber officinale	FooDB	FooDB
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
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	-2.2	ALOGPS
logP	-19	ChemAxon
logS	-0.58	ALOGPS
pKa (Strongest Acidic)	11.13	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	51	ChemAxon
Hydrogen Donor Count	32	ChemAxon
Polar Surface Area	822.73 Å²	ChemAxon
Rotatable Bond Count	28	ChemAxon
Refractivity	327.64 m³·mol⁻¹	ChemAxon
Polarizability	152.6 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0006798

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB024085

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C02492

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53477899

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 1,4-b-D-Mannan (NP0044497)

MOL for NP0044497 (1,4-b-D-Mannan)

3D MOL for NP0044497 (1,4-b-D-Mannan)

3D SDF for NP0044497 (1,4-b-D-Mannan)

3D-SDF for NP0044497 (1,4-b-D-Mannan)

PDB for NP0044497 (1,4-b-D-Mannan)

3D PDB for NP0044497 (1,4-b-D-Mannan)

SMILES for NP0044497 (1,4-b-D-Mannan)

INCHI for NP0044497 (1,4-b-D-Mannan)

Structure for NP0044497 (1,4-b-D-Mannan)

3D Structure for NP0044497 (1,4-b-D-Mannan)