NP-MRD: Showing NP-Card for N-Acetylglucosamine 6-sulfate (NP0086653)

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Record Information

Version

2.0

Created at

2022-05-11 16:27:12 UTC

Updated at

2022-05-11 16:27:13 UTC

NP-MRD ID

NP0086653

Secondary Accession Numbers

None

Natural Product Identification

Common Name

N-Acetylglucosamine 6-sulfate

Description

N-Acetylglucosamine 6-sulfate, also known as (6S)glcnacb or beta-D-glcnac6S, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. N-Acetylglucosamine 6-sulfate was first documented in 1983 (PMID: 6236815). N-Acetylglucosamine 6-sulfate is an extremely weak basic (essentially neutral) compound (based on its pKa) (PMID: 2500866) (PMID: 3462244).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 34 34  0  0  0  0  0  0  0  0999 V2000
   -5.2998    0.3899    0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8754    0.3689    0.4838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6033    0.8707    1.6051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -0.1898   -0.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4869   -0.2099    0.0737 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9157   -1.6015    0.1941 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6310   -2.3504    1.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3962   -1.6733    0.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -0.8256   -0.1737 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6496   -0.8359    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3757    0.0765   -0.4799 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855    0.1362   -0.0172 S   0  0  1  0  0  6  0  0  0  0  0  0
    5.4274   -1.1717    0.5832 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9012    0.4373   -1.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1492    1.3495    1.1259 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7495    0.6216   -0.1171 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6476    1.4935   -0.6545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5803    0.5777   -0.8460 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0086    1.8766   -1.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7013    1.4309    0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9341   -0.1380    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4508   -0.0787   -0.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -0.5904   -1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4087    0.2642    1.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0975   -2.1023   -0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -1.8924    2.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2253   -1.1056   -1.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1255   -1.8460    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371   -0.5808    1.3711 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7311    2.0755    0.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5827    0.8267    0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8210    2.2491   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4768    0.0029   -1.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    2.1449   -1.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  6
 12 15  1  0
 12 13  2  0
 12 14  2  0
  9 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18  5  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  4 23  1  0
  5 24  1  1
  6 25  1  6
  7 26  1  0
  9 27  1  6
 10 28  1  0
 10 29  1  0
 15 30  1  0
 16 31  1  1
 17 32  1  0
 18 33  1  6
 19 34  1  0
M  END


  Mrv1652305231920372D          

 19 19  0  0  1  0            999 V2000
    1.0294   -0.1665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3104   -0.5790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0294    0.6585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7900   -0.6774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -0.1665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3104   -1.4003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3104    1.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409    1.0711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8422   -1.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050    0.6585    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1088   -0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -1.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5423   -0.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0066    1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    0.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659    0.5412    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659    1.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3910    0.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5734   -0.2838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  2  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086653

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1

> <INCHI_KEY>
WJFVEEAIYIOATH-FMDGEEDCSA-N

> <FORMULA>
C8H15NO9S

> <MOLECULAR_WEIGHT>
301.271

> <EXACT_MASS>
301.046751773

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
26.70771966254742

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}sulfonic acid

> <ALOGPS_LOGP>
-2.02

> <JCHEM_LOGP>
-5.019565876750284

> <ALOGPS_LOGS>
-0.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.45499197738124

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.126693235336444

> <JCHEM_PKA_STRONGEST_BASIC>
-1.4305587974620826

> <JCHEM_POLAR_SURFACE_AREA>
162.62

> <JCHEM_REFRACTIVITY>
57.0165

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.45e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxysulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-MAY-19         0                                  
HETATM    1  C   UNK     0       1.922  -0.311   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.579  -1.081   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.922   1.229   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       3.341  -1.264   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -0.756  -0.311   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.579  -2.614   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.579   1.999   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.250   1.999   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.305  -1.999   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.756   1.229   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.070  -1.081   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       5.341  -3.532   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.612  -1.187   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.879   1.872   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -3.250   1.003   0.000  0.00  0.00           O+0
HETATM   16  S   UNK     0      -4.790   1.010   0.000  0.00  0.00           S+0
HETATM   17  O   UNK     0      -4.790   2.543   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -6.330   1.010   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.804  -0.530   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10   11                                                  
CONECT    6    2                                                            
CONECT    7    3   10                                                       
CONECT    8    3                                                            
CONECT    9    4   12   13                                                  
CONECT   10    5   14    7                                                  
CONECT   11    5                                                            
CONECT   12    9                                                            
CONECT   13    9                                                            
CONECT   14   10   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Value	Source
(6S)GlcNAcb	ChEBI
(6S)GlcNAcbeta	ChEBI
4[6OSO3]glcnacbeta	ChEBI
6-O-SulfO-N-acetyl-beta-D-glucosamine	ChEBI
beta-D-GlcNAc6S	ChEBI
beta-D-GlcpNAc6S	ChEBI
N-Acetyl-D-glucosamine 6-sulfate	ChEBI
N-Acetylglucosamine 6-sulfic acid	ChEBI
6-O-SulfO-N-acetyl-b-D-glucosamine	Generator
6-O-SulfO-N-acetyl-β-D-glucosamine	Generator
6-O-SulphO-N-acetyl-b-D-glucosamine	Generator
6-O-SulphO-N-acetyl-beta-D-glucosamine	Generator
6-O-SulphO-N-acetyl-β-D-glucosamine	Generator
b-D-GlcNAc6S	Generator
Β-D-glcnac6S	Generator
b-D-GlcpNAc6S	Generator
Β-D-glcpnac6S	Generator
N-Acetyl-D-glucosamine 6-sulfuric acid	Generator
N-Acetyl-D-glucosamine 6-sulphate	Generator
N-Acetyl-D-glucosamine 6-sulphuric acid	Generator
N-Acetylglucosamine 6-sulfuric acid	Generator
N-Acetylglucosamine 6-sulphate	Generator
N-Acetylglucosamine 6-sulphuric acid	Generator
Aga-6-S	HMDB
N-Acetyl-glucosamine 6-(hydrogen sulfate)	HMDB
N-Acetyl-glucosamine 6-(hydrogen sulphate)	HMDB
N-Acetylglucosamine-6-sulfate	HMDB
GlcNAc-6-O-sulfate	HMDB
N-Acetyl-b-D-glucosamine 6-sulfate	HMDB
N-Acetyl-b-D-glucosamine 6-sulfuric acid	HMDB
N-Acetyl-b-D-glucosamine 6-sulphate	HMDB
N-Acetyl-b-D-glucosamine 6-sulphuric acid	HMDB
N-Acetyl-beta-D-glucosamine 6-sulfuric acid	HMDB
N-Acetyl-beta-D-glucosamine 6-sulphate	HMDB
N-Acetyl-beta-D-glucosamine 6-sulphuric acid	HMDB
N-Acetyl-β-D-glucosamine 6-sulfate	HMDB
N-Acetyl-β-D-glucosamine 6-sulfuric acid	HMDB
N-Acetyl-β-D-glucosamine 6-sulphate	HMDB
N-Acetyl-β-D-glucosamine 6-sulphuric acid	HMDB
N-Acetylglucosamine 6-sulfate	ChEBI

Chemical Formula

C₈H₁₅NO₉S

Average Mass

301.2710 Da

Monoisotopic Mass

301.04675 Da

IUPAC Name

{[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}sulfonic acid

Traditional Name

[(2R,3S,4R,5R,6R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxysulfonic acid

CAS Registry Number

Not Available

SMILES

CC(=O)N[C@H]1[C@H](O)O[C@H](COS(O)(=O)=O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1

InChI Key

WJFVEEAIYIOATH-FMDGEEDCSA-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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Acylaminosugars

Alternative Parents

Substituents

Acylaminosugar
N-acyl-alpha-hexosamine
Hexose monosaccharide
Monosaccharide sulfate
Monosaccharide
Oxane
Sulfuric acid ester
Alkyl sulfate
Sulfate-ester
Sulfuric acid monoester
Organic sulfuric acid or derivatives
Acetamide
1,2-diol
Carboxamide group
Hemiacetal
Secondary alcohol
Secondary carboxylic acid amide
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Alcohol
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

glucosamine sulfate (CHEBI:28132 )
amino monosaccharide (CHEBI:28132 )

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	ALOGPS
logP	-5	ChemAxon
logS	-0.83	ALOGPS
pKa (Strongest Acidic)	-2.1	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	162.62 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	57.02 m³·mol⁻¹	ChemAxon
Polarizability	26.71 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0000814

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022261

KNApSAcK ID

Not Available

Chemspider ID

389219

KEGG Compound ID

C04132

BioCyc ID

CPD-13665

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

5778

PubChem Compound

440235

PDB ID

Not Available

ChEBI ID

28132

Good Scents ID

Not Available

References

General References

Freeman C, Hopwood JJ: Sanfilippo D syndrome: estimation of N-acetylglucosamine-6-sulfatase activity with a radiolabeled monosulfated disaccharide substrate. Anal Biochem. 1989 Feb 1;176(2):244-8. doi: 10.1016/0003-2697(89)90303-5. [PubMed:2500866 ]
Chambers WH, Oeltmann TN: The effects of hexose 6-O-sulfate esters on human natural killer cell lytic function. J Immunol. 1986 Sep 1;137(5):1469-74. [PubMed:3462244 ]
Hopwood JJ, Elliott H: N-acetylglucosamine 6-sulfate residues in keratan sulfate and heparan sulfate are desulfated by the same enzyme. Biochem Int. 1983 Feb;6(2):141-8. [PubMed:6236815 ]

Showing NP-Card for N-Acetylglucosamine 6-sulfate (NP0086653)

MOL for NP0086653 (N-Acetylglucosamine 6-sulfate)

3D MOL for NP0086653 (N-Acetylglucosamine 6-sulfate)

3D SDF for NP0086653 (N-Acetylglucosamine 6-sulfate)

3D-SDF for NP0086653 (N-Acetylglucosamine 6-sulfate)

PDB for NP0086653 (N-Acetylglucosamine 6-sulfate)

3D PDB for NP0086653 (N-Acetylglucosamine 6-sulfate)

SMILES for NP0086653 (N-Acetylglucosamine 6-sulfate)

INCHI for NP0086653 (N-Acetylglucosamine 6-sulfate)

Structure for NP0086653 (N-Acetylglucosamine 6-sulfate)

3D Structure for NP0086653 (N-Acetylglucosamine 6-sulfate)