NP-MRD: Showing NP-Card for (2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (NP0260471)

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Record Information

Version

2.0

Created at

2022-09-08 02:39:20 UTC

Updated at

2022-09-08 02:39:21 UTC

NP-MRD ID

NP0260471

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Description

3-Deoxy-D-glycero-beta-D-galacto-nonulosonic acid, also known as 2-keto-3-deoxy-D-glycero-b-D-galacto-NONONate or beta-KDN, belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond. A deaminoneuraminic acid in which the anomeric centre has beta-configuration. (2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid is found in Oncorhynchus keta. 3-Deoxy-D-glycero-beta-D-galacto-nonulosonic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 34  0  0  0  0  0  0  0  0999 V2000
   -3.8062   -2.0788   -0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2868   -0.9457   -0.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0451    0.1694   -0.6656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8879   -0.8580    0.1209 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3458   -2.1222    0.3420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8168    0.0042    1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4196    1.4321    1.0420 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3716    1.9986    0.2275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0361    1.4372    0.3835 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8675    1.6886    1.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1420    0.0771   -0.2234 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2042   -0.0022   -1.2625 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2253   -1.3008   -1.7657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5677    0.3755   -0.8170 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4122    0.2913   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1528   -0.5903    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -1.8802   -0.2726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804   -0.2461   -0.8491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7634    0.4549   -0.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3596   -2.5803   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382    0.0401    1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1066   -0.4387    2.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4032    1.9739    2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    2.8899   -0.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    2.2371   -0.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5286    2.4506    1.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613   -0.6320    0.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    0.6546   -2.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -1.9849   -1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402    1.4222   -0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3778   -0.6770   -2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1848   -0.3068    0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5387   -0.4760    1.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3721   -2.4772    0.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 14 12  1  0
 12 13  1  0
 12 11  1  0
 11 18  1  0
 18  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
  9 11  1  0
 14 30  1  1
 15 31  1  0
 16 32  1  0
 16 33  1  0
 17 34  1  0
 12 28  1  6
 13 29  1  0
 11 27  1  1
  5 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  1
  8 24  1  0
  9 25  1  6
 10 26  1  0
  3 19  1  0
M  END


  Mrv0541 05041406252D          

 23 23  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -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  1  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  2  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   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2414    0.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  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 O   0  0  0  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   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5236    0.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717   -0.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -0.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9966    0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303    0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  7  6  1  1  0  0  0
  9  1  1  0  0  0  0
  9  8  1  1  0  0  0
 10  2  1  0  0  0  0
  3 11  1  1  0  0  0
  4 12  1  6  0  0  0
  5 13  1  6  0  0  0
  6 14  1  1  0  0  0
 15  8  2  0  0  0  0
 16  8  1  0  0  0  0
  9 17  1  6  0  0  0
 18  7  1  0  0  0  0
 18  9  1  0  0  0  0
  3 19  1  6  0  0  0
  4 20  1  6  0  0  0
  5 21  1  1  0  0  0
  6 22  1  1  0  0  0
  7 23  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0260471

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1

> <INCHI_KEY>
CLRLHXKNIYJWAW-YOQZMRDMSA-N

> <FORMULA>
C9H16O9

> <MOLECULAR_WEIGHT>
268.2179

> <EXACT_MASS>
268.07943211

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
23.965409899367064

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.87

> <JCHEM_LOGP>
-3.275902325333333

> <ALOGPS_LOGS>
0.30

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.106537611051165

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.892075164751955

> <JCHEM_PKA_STRONGEST_BASIC>
-2.97421916261417

> <JCHEM_POLAR_SURFACE_AREA>
167.90999999999997

> <JCHEM_REFRACTIVITY>
52.680099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.35e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   19  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   20  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   21  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3    9                                                       
CONECT    2    4   10                                                       
CONECT    3    1    5   11   19                                             
CONECT    4    2    6   12   20                                             
CONECT    5    3    7   13   21                                             
CONECT    6    4    7   14   22                                             
CONECT    7    5    6   18   23                                             
CONECT    8    9   15   16                                                  
CONECT    9    1    8   17   18                                             
CONECT   10    2                                                            
CONECT   11    3                                                            
CONECT   12    4                                                            
CONECT   13    5                                                            
CONECT   14    6                                                            
CONECT   15    8                                                            
CONECT   16    8                                                            
CONECT   17    9                                                            
CONECT   18    7    9                                                       
CONECT   19    3                                                            
CONECT   20    4                                                            
CONECT   21    5                                                            
CONECT   22    6                                                            
CONECT   23    7                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
2-Keto-3-deoxy-D-glycero-beta-D-galacto-NONONic acid	ChEBI
beta-KDN	ChEBI
Deamino-beta-neuraminic acid	ChEBI
2-Keto-3-deoxy-D-glycero-b-D-galacto-NONONate	Generator
2-Keto-3-deoxy-D-glycero-b-D-galacto-NONONic acid	Generator
2-Keto-3-deoxy-D-glycero-beta-D-galacto-NONONate	Generator
2-Keto-3-deoxy-D-glycero-β-D-galacto-NONONate	Generator
2-Keto-3-deoxy-D-glycero-β-D-galacto-NONONic acid	Generator
b-KDN	Generator
Β-KDN	Generator
Deamino-b-neuraminate	Generator
Deamino-b-neuraminic acid	Generator
Deamino-beta-neuraminate	Generator
Deamino-β-neuraminate	Generator
Deamino-β-neuraminic acid	Generator
3-Deoxy-D-glycero-b-D-galacto-nonulosonate	Generator
3-Deoxy-D-glycero-b-D-galacto-nonulosonic acid	Generator
3-Deoxy-D-glycero-beta-D-galacto-nonulosonate	Generator
3-Deoxy-D-glycero-β-D-galacto-nonulosonate	Generator
3-Deoxy-D-glycero-β-D-galacto-nonulosonic acid	Generator

Chemical Formula

C₉H₁₆O₉

Average Mass

268.2179 Da

Monoisotopic Mass

268.07943 Da

IUPAC Name

(2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Traditional Name

(2S,4S,5R,6R)-2,4,5-trihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C9H16O9/c10-2-4(12)6(14)7-5(13)3(11)1-9(17,18-7)8(15)16/h3-7,10-14,17H,1-2H2,(H,15,16)/t3-,4+,5+,6+,7+,9-/m0/s1

InChI Key

CLRLHXKNIYJWAW-YOQZMRDMSA-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
Oncorhynchus keta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glucuronides

Alternative Parents

Substituents

C-glucuronide
C-glycosyl compound
Glycosyl compound
Alpha-hydroxy acid
Pyran
Hydroxy acid
Oxane
Monosaccharide
Secondary alcohol
Hemiacetal
Oxacycle
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Carbonyl group
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	-2.9	ALOGPS
logP	-3.3	ChemAxon
logS	0.3	ALOGPS
pKa (Strongest Acidic)	2.89	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	167.91 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	52.68 m³·mol⁻¹	ChemAxon
Polarizability	23.97 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

CPD-10734

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10869261

PDB ID

Not Available

ChEBI ID

131593

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid (NP0260471)

MOL for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

3D MOL for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

3D SDF for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

3D-SDF for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

PDB for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

3D PDB for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

SMILES for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

INCHI for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

Structure for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)

3D Structure for NP0260471 ((2s,4s,5r,6r)-2,4,5-trihydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid)