NP-MRD: Showing NP-Card for α-maltose (NP0150755)

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Record Information

Version

1.0

Created at

2022-09-02 06:57:53 UTC

Updated at

2022-09-02 06:57:53 UTC

NP-MRD ID

NP0150755

Secondary Accession Numbers

None

Natural Product Identification

Common Name

α-maltose

Description

Maltodextrin, also known as alpha-malt sugar or MALTOSE, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Maltodextrin is possibly neutral. Maltodextrin is an odorless tasting compound. Outside of the human body, Maltodextrin is found, on average, in the highest concentration within a few different foods, such as fruit gums, marshmallows, and other candies and in a lower concentration in other bread products, toffee, and corns. Maltodextrin has also been detected, but not quantified in, several different foods, such as other dish, sesbania flowers, mexican oregano, grape wines, and strawberry guava. This could make maltodextrin a potential biomarker for the consumption of these foods. Maltodextrin is a polysaccharide that is used as a food additive. Nonsweet nutritive food additive used as a reduced calorie fat replacement. Also used as a stabiliser, thickener and encapsulating agent in food products. Maltodextrin is easily digestible, being absorbed as rapidly as glucose, and might be either moderately sweet or almost flavorless. α-maltose is found in Cucurbita foetidissima, Cyperus esculentus, Daphnia pulex, Dioscorea bulbifera, Ginkgo biloba, Glycine max, Hibiscus sabdariffa, Lentinula edodes, Lepidium meyenii, Mirabilis jalapa, Panax quinquefolius, Phytelephas aequatorialis, Prunus avium, Pueraria montana, Solanum lycocarpum and Zingiber officinale. It was first documented in 2007 (PMID: 17669381). It is hydrolysate produced from starch and is usually found as a creamy-white hygroscopic spraydried powder (PMID: 19443021) (PMID: 25568069).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309121723122D          

 23 24  0  0  0  0            999 V2000
    2.4161   -2.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016   -2.9170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7016   -3.7420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161   -4.1545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1305   -3.7420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1305   -2.9170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8450   -2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -4.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -4.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6629   -4.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727   -2.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740   -0.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595   -1.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5595   -2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2740   -2.5045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9884   -2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9884   -1.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2940   -0.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029   -2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740   -3.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305   -1.2670    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
  2 11  1  1  0  0  0
 11 12  1  0  0  0  0
 15  7  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  6  0  0  0
 17 20  1  6  0  0  0
 16 21  1  1  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SAL   1  8  16  17  18  19  20  21  22  23
M  SDI   1  4   -1.0754   -5.3920   -1.0754    0.3241
M  SDI   1  4    8.7065    0.3241    8.7065   -5.3920
M  SMT   1 n
M  END

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -2.0851    0.8439   -3.0375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0849    0.9948   -2.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6326    0.3634   -0.7632 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4806    1.0173   -0.3651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7851    0.3824    0.6479 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1668   -0.4542    0.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -0.1405    0.3657 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1846   -0.0145   -0.9600 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4648    0.9269   -1.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473    2.1636   -1.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4272    0.5020   -0.6916 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1901   -0.1734    0.1931 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4050   -0.5145   -0.4404 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5951   -1.3537    0.8617 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9743   -2.4979    0.1410 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1245   -1.3581    1.0245 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7406   -1.4190    2.3839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7335   -0.2207    1.6092 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1287   -1.5304    1.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0065    0.6039    1.6143 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7846    1.9274    1.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7283    0.4433    0.2677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4520   -0.7460    0.2229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0339   -0.0888   -3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9850    0.4453   -2.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2873    2.0578   -1.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -0.7059   -0.9204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2282    1.2009    1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6420    0.7697    0.9600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187   -1.0486   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444    1.0842   -2.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5117    0.4802   -2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6141    2.6844   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    0.5541    1.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6291    0.1263   -1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -1.5053    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1708   -2.3139   -0.7973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6607   -2.2399    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9416   -2.0129    2.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3689   -0.2140    2.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756   -2.0646    1.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7382    0.2098    2.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0819    2.1567    2.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4383    1.2637    0.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4332   -0.5851    0.1525 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7 16  1  0
 16 17  1  0
 16 14  1  0
 14 15  1  0
 14 12  1  0
 12 13  1  0
 12 11  1  0
 11  8  1  0
  8  9  1  0
  9 10  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
  8  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  1
  7 29  1  1
 16 38  1  6
 17 39  1  0
 14 36  1  1
 15 37  1  0
 12 34  1  1
 13 35  1  0
  8 30  1  6
  9 31  1  0
  9 32  1  0
 10 33  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  1
 21 43  1  0
 22 44  1  6
 23 45  1  0
M  END


  Mrv1652309121723122D          

 23 24  0  0  0  0            999 V2000
    2.4161   -2.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7016   -2.9170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7016   -3.7420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4161   -4.1545    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1305   -3.7420    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1305   -2.9170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8450   -2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -4.1545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161   -4.9795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6629   -4.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871   -2.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727   -2.9170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740   -0.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595   -1.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5595   -2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2740   -2.5045    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9884   -2.0920    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9884   -1.2669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.2940   -0.0884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7029   -2.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740   -3.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8450   -0.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305   -1.2670    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  5  8  1  6  0  0  0
  4  9  1  1  0  0  0
  3 10  1  6  0  0  0
  2 11  1  1  0  0  0
 11 12  1  0  0  0  0
 15  7  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  6  0  0  0
 17 20  1  6  0  0  0
 16 21  1  1  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
M  STY  1   1 SRU
M  SCN  1   1 HT 
M  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15
M  SAL   1  8  16  17  18  19  20  21  22  23
M  SDI   1  4   -1.0754   -5.3920   -1.0754    0.3241
M  SDI   1  4    8.7065    0.3241    8.7065   -5.3920
M  SMT   1 n
M  END
> <DATABASE_ID>
NP0150755

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1

> <INCHI_KEY>
GUBGYTABKSRVRQ-ASMJPISFSA-N

> <FORMULA>
(C12H22O11)n

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
-3.01

> <ALOGPS_LOGS>
0.23

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.86e+02 g/l

$$$$

HEADER    PROTEIN                                 12-SEP-17   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-17         0                                  
HETATM    1  O     n     1       4.510  -4.675   0.000  0.00  0.00           O+0
HETATM    2  C     n     1       3.176  -5.445   0.000  0.00  0.00           C+0
HETATM    3  C     n     1       3.176  -6.985   0.000  0.00  0.00           C+0
HETATM    4  C     n     1       4.510  -7.755   0.000  0.00  0.00           C+0
HETATM    5  C     n     1       5.844  -6.985   0.000  0.00  0.00           C+0
HETATM    6  C     n     1       5.844  -5.445   0.000  0.00  0.00           C+0
HETATM    7  O     n     1       7.177  -4.675   0.000  0.00  0.00           O+0
HETATM    8  O     n     1       7.177  -7.755   0.000  0.00  0.00           O+0
HETATM    9  O     n     1       4.510  -9.295   0.000  0.00  0.00           O+0
HETATM   10  O     n     1      -1.237  -9.075   0.000  0.00  0.00           O+0
HETATM   11  C     n     1       1.843  -4.675   0.000  0.00  0.00           C+0
HETATM   12  O     n     1       0.509  -5.445   0.000  0.00  0.00           O+0
HETATM   13  O     n     1       9.845  -1.595   0.000  0.00  0.00           O+0
HETATM   14  C     n     1       8.511  -2.365   0.000  0.00  0.00           C+0
HETATM   15  C     n     1       8.511  -3.905   0.000  0.00  0.00           C+0
HETATM   16  C     n     1       9.845  -4.675   0.000  0.00  0.00           C+0
HETATM   17  C     n     1      11.178  -3.905   0.000  0.00  0.00           C+0
HETATM   18  C     n     1      11.178  -2.365   0.000  0.00  0.00           C+0
HETATM   19  O     n     1      15.482  -0.165   0.000  0.00  0.00           O+0
HETATM   20  O     n     1      12.512  -4.675   0.000  0.00  0.00           O+0
HETATM   21  O     n     1       9.845  -6.215   0.000  0.00  0.00           O+0
HETATM   22  C     n     1       7.177  -1.595   0.000  0.00  0.00           C+0
HETATM   23  O     n     1       5.844  -2.365   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4   10                                                  
CONECT    4    3    5    9                                                  
CONECT    5    4    6    8                                                  
CONECT    6    5    1    7                                                  
CONECT    7    6   15                                                       
CONECT    8    5                                                            
CONECT    9    4                                                            
CONECT   10    3                                                            
CONECT   11    2   12                                                       
CONECT   12   11                                                            
CONECT   13   14   18                                                       
CONECT   14   13   15   22                                                  
CONECT   15    7   14   16                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16   18   20                                                  
CONECT   18   17   13   19                                                  
CONECT   19   18                                                            
CONECT   20   17                                                            
CONECT   21   16                                                            
CONECT   22   14   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Value	Source
4-O-alpha-D-Glucopyranosyl-alpha-D-glucopyranose	ChEBI
alpha-D-GLCP-(1->4)-alpha-D-GLCP	ChEBI
alpha-Malt sugar	ChEBI
Glca1-4glca	ChEBI
Glcalpha1-4glca	ChEBI
Glcalpha1-4glcalpha	ChEBI
MALTOSE	ChEBI
4-O-a-D-Glucopyranosyl-a-D-glucopyranose	Generator
4-O-Α-D-glucopyranosyl-α-D-glucopyranose	Generator
a-D-GLCP-(1->4)-a-D-GLCP	Generator
Α-D-GLCP-(1->4)-α-D-GLCP	Generator
a-Malt sugar	Generator
Α-malt sugar	Generator
a-Maltose	HMDB
Α-maltose	HMDB
Linear maltodextrin	HMDB
Maltodextrin(N)	HMDB
Maltodextrin(N-2)	HMDB

Chemical Formula

(C₁₂H₂₂O₁₁)n

Average Mass

Not Available

Monoisotopic Mass

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1

InChI Key

GUBGYTABKSRVRQ-ASMJPISFSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Cucurbita foetidissima	LOTUS Database	35616633
Cyperus esculentus	LOTUS Database	35616633
Daphnia pulex	LOTUS Database	35616633
Dioscorea bulbifera	LOTUS Database	35616633
Ginkgo biloba	LOTUS Database	35616633
Glycine max	LOTUS Database	35616633
Hibiscus sabdariffa	LOTUS Database	35616633
Lentinus edodes	LOTUS Database	35616633
Lepidium meyenii	LOTUS Database	35616633
Mirabilis jalapa	LOTUS Database	35616633
Panax quinquefolius	LOTUS Database	35616633
Phytelephas aequatorialis	LOTUS Database	35616633
Prunus avium	LOTUS Database	35616633
Pueraria montana	LOTUS Database	35616633
Solanum lycocarpum	LOTUS Database	35616633
Zingiber officinale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Disaccharide
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

maltose (CHEBI:18167 )

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	-3	ALOGPS
logS	0.23	ALOGPS
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon

External Links

HMDB ID

HMDB0037138

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB016133

KNApSAcK ID

Not Available

Chemspider ID

388469

KEGG Compound ID

C00897

BioCyc ID

ALPHA-MALTOSE

BiGG ID

Not Available

Wikipedia Link

Maltose

METLIN ID

Not Available

PubChem Compound

439341

PDB ID

MAL

ChEBI ID

18167

Good Scents ID

Not Available

References

General References

von Gunten S, Smith DF, Cummings RD, Riedel S, Miescher S, Schaub A, Hamilton RG, Bochner BS: Intravenous immunoglobulin contains a broad repertoire of anticarbohydrate antibodies that is not restricted to the IgG2 subclass. J Allergy Clin Immunol. 2009 Jun;123(6):1268-76.e15. doi: 10.1016/j.jaci.2009.03.013. Epub 2009 May 13. [PubMed:19443021 ]
Schneider C, Smith DF, Cummings RD, Boligan KF, Hamilton RG, Bochner BS, Miescher S, Simon HU, Pashov A, Vassilev T, von Gunten S: The human IgG anti-carbohydrate repertoire exhibits a universal architecture and contains specificity for microbial attachment sites. Sci Transl Med. 2015 Jan 7;7(269):269ra1. doi: 10.1126/scitranslmed.3010524. [PubMed:25568069 ]
Schnupf U, Willett JL, Bosma WB, Momany FA: DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps. Carbohydr Res. 2007 Nov 5;342(15):2270-85. doi: 10.1016/j.carres.2007.06.026. Epub 2007 Jul 3. [PubMed:17669381 ]
LOTUS database [Link]

Showing NP-Card for α-maltose (NP0150755)

MOL for NP0150755 (α-maltose)

3D MOL for NP0150755 (α-maltose)

3D SDF for NP0150755 (α-maltose)

3D-SDF for NP0150755 (α-maltose)

PDB for NP0150755 (α-maltose)

3D PDB for NP0150755 (α-maltose)

SMILES for NP0150755 (α-maltose)

INCHI for NP0150755 (α-maltose)

Structure for NP0150755 (α-maltose)

3D Structure for NP0150755 (α-maltose)