NP-MRD: Showing NP-Card for (2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol (NP0292602)

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Record Information

Version

2.0

Created at

2022-09-10 00:12:36 UTC

Updated at

2022-09-10 00:12:36 UTC

NP-MRD ID

NP0292602

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

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. (2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol is found in Acorus calamus, Arbutus unedo, Atriplex prostrata, Bolbostemma paniculatum, Cannabis sativa, Ceratonia siliqua, Euphorbia helioscopia, Glycyrrhiza glabra, Helianthus annuus, Humulus lupulus, Lantana camara, Panax ginseng, Panax quinquefolius, Pisum sativum, Pseudostellaria heterophylla and Tillandsia usneoides. (2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol was first documented in 2022 (PMID: 36078812). Based on a literature review a small amount of articles have been published on maltose (PMID: 36103351) (PMID: 36087439) (PMID: 36075730) (PMID: 36073803).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
    0.6441   -2.5370   -1.5582 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -2.3973   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3465   -1.0724   -0.7440 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3161   -0.9358    0.2216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    0.2603    0.8712 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5608    0.3694    1.5442 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330    1.4637   -0.0369 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0349    2.5742    0.8000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1117    1.3511   -1.0119 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6283    1.3121   -2.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    0.0560   -0.8042 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5424    0.0754    0.2960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8069   -0.0963   -0.0065 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2978   -1.2820    0.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6556   -1.3841    0.5144 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2804   -1.3456   -0.8626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8318   -2.3787   -1.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.3964    1.4539 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6165   -0.1558    1.1773 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5336    0.9092    1.5207 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4568    1.9752    1.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5487    1.1216    0.4216 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6555    2.1261    0.8634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -3.4812   -1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117   -2.4819    0.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3412   -3.2403   -0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8709   -1.1265   -1.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5518    0.3491    1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0869    1.1403    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1852    1.6538   -0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8869    3.0236    0.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4783    2.2348   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4516    0.7596   -2.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7293   -0.0979   -1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8456   -0.2090   -1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8998   -2.4116    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3833   -1.4469   -0.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1022   -0.3723   -1.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524   -2.0932   -2.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2425   -0.8335    2.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7420    0.6217    0.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    1.0359    2.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9436    2.7745    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    1.5843   -0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077    3.0039    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11  9  1  0
  9 10  1  0
  9  7  1  0
  7  8  1  0
  7  5  1  0
  5  6  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
 13 22  1  0
 22 23  1  0
 22 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
 18 15  1  0
  3 11  1  0
 17 39  1  0
 16 37  1  0
 16 38  1  0
 15 36  1  1
 13 35  1  6
 11 34  1  6
  9 32  1  6
 10 33  1  0
  7 30  1  6
  8 31  1  0
  5 28  1  1
  6 29  1  0
  3 27  1  6
  2 25  1  0
  2 26  1  0
  1 24  1  0
 22 44  1  6
 23 45  1  0
 20 42  1  1
 21 43  1  0
 18 40  1  1
 19 41  1  0
M  END


  Mrv1652309102202122D          

 23 24  0  0  1  0            999 V2000
   -1.4289   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  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
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 16 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0292602

> <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-KEUNEUHJSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.297

> <EXACT_MASS>
342.116211528

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
31.147818071784076

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
-4.703374863666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.173689317234608

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.254374125721942

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652988272

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.3367

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

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

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  O   UNK     0      -2.667  -0.000   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9    3   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   15   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   13   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₂H₂₂O₁₁

Average Mass

342.2970 Da

Monoisotopic Mass

342.11621 Da

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-KEUNEUHJSA-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
Acorus calamus	LOTUS Database	35616633
Arbutus unedo	LOTUS Database	35616633
Atriplex prostrata	LOTUS Database	35616633
Bolbostemma paniculatum	LOTUS Database	35616633
Cannabis sativa	LOTUS Database	35616633
Ceratonia siliqua	LOTUS Database	35616633
Euphorbia helioscopia	LOTUS Database	35616633
Glycyrrhiza glabra	LOTUS Database	35616633
Helianthus annuus	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Lantana camara	LOTUS Database	35616633
Panax ginseng	LOTUS Database	35616633
Panax quinquefolius	LOTUS Database	35616633
Pisum sativum	LOTUS Database	35616633
Pseudostellaria heterophylla	LOTUS Database	35616633
Tillandsia usneoides	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

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00001140

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Maltose

METLIN ID

Not Available

PubChem Compound

131632347

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Hao P, Wu S, Zhang X, Gou C, Wang Y, Wang L, Zhu Y, Basang W, Gao Y: Characterization and Degradation Pathways of Microbacterium resistens MZT7, A Novel 17beta-Estradiol-Degrading Bacterium. Int J Environ Res Public Health. 2022 Sep 5;19(17). pii: ijerph191711097. doi: 10.3390/ijerph191711097. [PubMed:36078812 ]
Kalathil S, Miller M, Reisner E: Microbial Fermentation of Polyethylene Terephthalate (PET) Plastic Waste for the Production of Chemicals or Electricity. Angew Chem Int Ed Engl. 2022 Nov 7;61(45):e202211057. doi: 10.1002/anie.202211057. Epub 2022 Oct 10. [PubMed:36103351 ]
Michailidis M, Titeli VS, Karagiannis E, Feidaki K, Ganopoulos I, Tanou G, Argiriou A, Molassiotis A: Tissue-specific transcriptional analysis outlines calcium-induced core metabolic changes in sweet cherry fruit. Plant Physiol Biochem. 2022 Oct 15;189:139-152. doi: 10.1016/j.plaphy.2022.08.022. Epub 2022 Aug 31. [PubMed:36087439 ]
Faria BF, Vishnyakov AM: Simulation of surfactant adsorption at liquid-liquid interface: What we may expect from soft-core models? J Chem Phys. 2022 Sep 7;157(9):094706. doi: 10.1063/5.0087363. [PubMed:36075730 ]
Wang H, Zhou W, Gao J, Ren C, Xu Y: Revealing the Characteristics of Glucose- and Lactate-Based Chain Elongation for Caproate Production by Caproicibacterium lactatifermentans through Transcriptomic, Bioenergetic, and Regulatory Analyses. mSystems. 2022 Oct 26;7(5):e0053422. doi: 10.1128/msystems.00534-22. Epub 2022 Sep 8. [PubMed:36073803 ]
LOTUS database [Link]

Showing NP-Card for (2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol (NP0292602)

MOL for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

3D MOL for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

3D SDF for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

3D-SDF for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

PDB for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

3D PDB for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

SMILES for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

INCHI for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

Structure for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)

3D Structure for NP0292602 ((2r,3r,4r,5s,6s)-6-(hydroxymethyl)-5-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,3,4-triol)