NP-MRD: Showing NP-Card for (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol (NP0197283)

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Record Information

Version

2.0

Created at

2022-09-04 15:30:54 UTC

Updated at

2022-09-04 15:30:55 UTC

NP-MRD ID

NP0197283

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

Neotrehalose, also known as (GLC)2 or α,β-trehalose, 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. Neotrehalose is an extremely weak basic (essentially neutral) compound (based on its pKa). (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol is found in Laetiporus sulphureus. A trehalose in which one of the glucose residues has alpha-configuration at the anomeric carbon, while the other has alpha-configuration.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 46  0  0  0  0  0  0  0  0999 V2000
   -5.3403    1.6956    0.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0398    1.7934    0.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221    0.6725   -0.0532 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9194    0.7423    0.4438 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0199    0.0369   -0.3599 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0311   -0.3521    0.4184 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2727    0.1073    0.0709 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6530    0.9658    1.0797 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694    1.3180    1.1007 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3381    2.3009   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    3.4724    0.0902 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9393    0.1879    1.1813 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5750    0.0914    2.4244 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2244   -1.1551    0.9832 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1774   -2.0731    0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3043   -0.9023   -0.2197 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8476   -2.1381   -0.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7184   -1.2543   -0.7999 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3678   -1.1099   -2.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6432   -1.6584    0.3347 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9282   -1.4156    1.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7973   -0.6676    0.3193 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.7217   -1.1389   -0.6025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3816    1.1108   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5918    2.7635    0.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0765    1.6166    1.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2656    0.8735   -1.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816    0.6865   -1.2004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1299    0.7500   -0.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1161    1.9197    2.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135    1.8743   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995    2.5718    0.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1100    4.2169    0.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290    0.3245    0.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0729   -0.7759    2.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6692   -1.4514    1.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221   -2.9348    0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9771   -0.5212   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076   -2.1240   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -2.0840   -0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1323   -1.8519   -2.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9822   -2.6937    0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5367   -1.0812    2.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -0.5639    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7270   -2.1450   -0.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  3 22  1  0
 22 23  1  0
 22 20  1  0
 20 21  1  0
 20 18  1  0
 18 19  1  0
 18  5  1  0
 16  7  1  0
  5 28  1  6
  7 29  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
  3 27  1  6
  2 25  1  0
  2 26  1  0
  1 24  1  0
 22 44  1  1
 23 45  1  0
 20 42  1  6
 21 43  1  0
 18 40  1  6
 19 41  1  0
M  END


  Mrv1652305241918172D          

 24 25  0  0  0  0            999 V2000
 9998.7820 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.210610000.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.926410000.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.2106 9996.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6423 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6423 9999.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7820 9998.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.354910000.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.640410000.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3549 9996.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9237 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9237 9999.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3536 9999.4163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6392 9999.0039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6392 9998.1789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.3536 9997.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0680 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0680 9999.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.2120 9999.4163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.4975 9999.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4975 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.2120 9997.7665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.9264 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.9264 9999.0039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  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
 19 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 18  1  0  0  0  0
 17 18  1  0  0  0  0
  1 21  1  0  0  0  0
 21  7  1  1  0  0  0
 19  2  1  6  0  0  0
 24  6  1  1  0  0  0
 23  5  1  6  0  0  0
 22  4  1  1  0  0  0
 17  1  1  6  0  0  0
 13  8  1  1  0  0  0
 14 12  1  6  0  0  0
 15 11  1  1  0  0  0
 16 10  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0197283

> <DATABASE_NAME>
NP-MRD

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

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

> <INCHI_KEY>
HDTRYLNUVZCQOY-BTLHAWITSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.297

> <EXACT_MASS>
342.116211528

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.808367767490637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.427499300678097

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.9058964768732

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981084769765199

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.33670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α,β-trehalose

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAY-19         0                                  
HETATM    1  O   UNK     0    8664.3938662.498   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8667.0608667.118   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8668.3968667.888   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8667.0608660.958   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.7328662.498   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8669.7328665.578   0.000  0.00  0.00           O+0
HETATM    7  H   UNK     0    8664.3938664.038   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0    8661.7298667.118   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    8660.3958667.888   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8661.7298660.958   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8659.0588662.498   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8659.0588665.578   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8661.7278665.577   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8660.3938664.807   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8660.3938663.267   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8661.7278662.498   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8663.0608663.267   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8663.0608664.807   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    8667.0628665.577   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0    8665.7298664.807   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8665.7298663.267   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8667.0628662.498   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.3968663.267   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.3968664.807   0.000  0.00  0.00           C+0
CONECT    1   21   17                                                       
CONECT    2    3   19                                                       
CONECT    3    2                                                            
CONECT    4   22                                                            
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7   21                                                            
CONECT    8    9   13                                                       
CONECT    9    8                                                            
CONECT   10   16                                                            
CONECT   11   15                                                            
CONECT   12   14                                                            
CONECT   13   14   18    8                                                  
CONECT   14   13   15   12                                                  
CONECT   15   14   16   11                                                  
CONECT   16   15   17   10                                                  
CONECT   17   16   18    1                                                  
CONECT   18   13   17                                                       
CONECT   19   24   20    2                                                  
CONECT   20   19   21                                                       
CONECT   21   22   20    1    7                                             
CONECT   22   21   23    4                                                  
CONECT   23   22   24    5                                                  
CONECT   24   19   23    6                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Value	Source
alpha-D-GLCP-(11)-beta-D-GLCP	ChEBI
alpha-D-Glucopyranosyl beta-D-glucopyranoside	ChEBI
a-D-GLCP-(11)-b-D-GLCP	Generator
a-D-Glucopyranosyl b-D-glucopyranoside	Generator
(GLC)2	HMDB
alpha,beta-Trehalose	HMDB
beta-D-Glucopyranosyl alpha-D-glucopyranoside	HMDB
Α,β-trehalose	HMDB
Β-D-glucopyranosyl α-D-glucopyranoside	HMDB
Neotrehalose	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Mass

342.2970 Da

Monoisotopic Mass

342.11621 Da

IUPAC Name

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

Traditional Name

α,β-trehalose

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

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

InChI Key

HDTRYLNUVZCQOY-BTLHAWITSA-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
Laetiporus sulphureus	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
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:39244 )
alpha-D-glucoside (CHEBI:39244 )
trehalose (CHEBI:39244 )

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
logP	-4.7	ChemAxon
logS	0.24	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	30.81 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0029880

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB001115

KNApSAcK ID

Not Available

Chemspider ID

9046871

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10871590

PDB ID

Not Available

ChEBI ID

39244

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol (NP0197283)

MOL for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

3D MOL for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

3D SDF for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

3D-SDF for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

PDB for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

3D PDB for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

SMILES for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

INCHI for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

Structure for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)

3D Structure for NP0197283 ((2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-3,4,5-triol)