NP-MRD: Showing NP-Card for 3'-Monoiodo-L-thyronine 4'-O-sulfate (NP0092347)

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Record Information

Version

2.0

Created at

2022-05-11 19:04:11 UTC

Updated at

2022-05-11 19:04:11 UTC

NP-MRD ID

NP0092347

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3'-Monoiodo-L-thyronine 4'-O-sulfate

Description

3'-Monoiodo-L-thyronine 4'-O-sulfate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid. 3'-Monoiodo-L-thyronine 4'-O-sulfate is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 40  0  0  0  0  0  0  0  0999 V2000
   -4.7575    0.8962    1.4956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0149   -0.0780    0.4517 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9809    0.1621   -0.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6056   -0.0090   -0.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9821   -1.2469   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018   -1.3937    0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0299   -0.3060    0.9064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2580   -0.4201    1.4168 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707   -0.2239    0.5985 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9347   -1.2836   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0349   -1.1145   -0.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6192    0.1301   -1.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7266    0.2696   -1.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2774    0.0867   -1.2162 S   0  0  2  0  0  6  0  0  0  0  0  0
    7.9621    1.4122   -1.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0652   -0.7743   -2.1929 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1543   -0.7674    0.2219 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    1.1868   -0.3815 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9277    3.0978   -0.6259 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494    1.0176    0.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6307    0.9359    0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    1.0656    0.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3851    0.1173   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8476   -0.5977   -1.0195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1771    1.1209    0.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7559    1.8428    1.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6090    0.9053    2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9767   -1.0863    0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1281   -0.6407   -1.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1369    1.1461   -1.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -2.1170   -0.5523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1775   -2.3421    0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723   -2.2536    0.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743   -1.9532   -1.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116   -0.9345    0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5548    1.8854    0.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507    1.8159    1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128    2.0203    0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1727    1.0000    0.5575 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 20  2  0
 20 18  1  0
 18 19  1  0
 18 12  2  0
 12 13  1  0
 14 13  1  6
 14 17  1  0
 14 15  2  0
 14 16  2  0
 12 11  1  0
 11 10  2  0
  7 21  1  0
 21 22  2  0
  2 23  1  0
 23 25  1  0
 23 24  2  0
 22  4  1  0
 10  9  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  1
  3 29  1  0
  3 30  1  0
  5 31  1  0
  6 32  1  0
 20 36  1  0
 17 35  1  0
 11 34  1  0
 10 33  1  0
 21 37  1  0
 22 38  1  0
 25 39  1  0
M  END


  Mrv1652303102016592D          

 25 26  0  0  0  0            999 V2000
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    6.1875    0.0000 C   0  0  0  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
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   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
   -2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 N   0  0  0  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
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7474    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3974    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 14 12  2  0  0  0  0
 15 13  1  0  0  0  0
 16 12  1  0  0  0  0
 13 17  1  6  0  0  0
 18 15  2  0  0  0  0
 19 15  1  0  0  0  0
 23 10  1  0  0  0  0
 23 11  1  0  0  0  0
 24 14  1  0  0  0  0
 25 20  1  0  0  0  0
 25 21  2  0  0  0  0
 25 22  2  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0092347

> <DATABASE_NAME>
NP-MRD

> <SMILES>
N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1

> <INCHI_KEY>
HPQMRLCNKPMUJD-CYBMUJFWSA-N

> <FORMULA>
C15H14INO7S

> <MOLECULAR_WEIGHT>
479.244

> <EXACT_MASS>
478.953565917

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
37.94322790164012

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

> <ALOGPS_LOGP>
-0.28

> <JCHEM_LOGP>
1.7047045830029537

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
1.5279170745699044

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.611753438908509

> <JCHEM_PKA_STRONGEST_BASIC>
9.460156441845815

> <JCHEM_POLAR_SURFACE_AREA>
136.15

> <JCHEM_REFRACTIVITY>
96.69229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   16  I   UNK     0      -6.668   8.470   0.000  0.00  0.00           I+0
HETATM   17  N   UNK     0      -4.001   2.310   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -6.668  14.630   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -5.128  13.090   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -8.208  13.090   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM   25  S   UNK     0      -6.668  13.090   0.000  0.00  0.00           S+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5    6   11                                                       
CONECT    6    5   14                                                       
CONECT    7    9   13                                                       
CONECT    8   11   12                                                       
CONECT    9    1    2    7                                                  
CONECT   10    3    4   23                                                  
CONECT   11    5    8   23                                                  
CONECT   12    8   14   16                                                  
CONECT   13    7   15   17                                                  
CONECT   14    6   12   24                                                  
CONECT   15   13   18   19                                                  
CONECT   16   12                                                            
CONECT   17   13                                                            
CONECT   18   15                                                            
CONECT   19   15                                                            
CONECT   20   25                                                            
CONECT   21   25                                                            
CONECT   22   25                                                            
CONECT   23   10   11                                                       
CONECT   24   14   25                                                       
CONECT   25   20   21   22   24                                             
MASTER        0    0    0    0    0    0    0    0   25    0   52    0
END

View in JSmol

Synonyms

Value	Source
3'-Monoiodo-L-thyronine 4'-O-sulfuric acid	Generator
3'-Monoiodo-L-thyronine 4'-O-sulphate	Generator
3'-Monoiodo-L-thyronine 4'-O-sulphuric acid	Generator

Chemical Formula

C₁₅H₁₄INO₇S

Average Mass

479.2440 Da

Monoisotopic Mass

478.95357 Da

IUPAC Name

(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

Traditional Name

(2R)-2-amino-3-{4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

CAS Registry Number

Not Available

SMILES

N[C@H](CC1=CC=C(OC2=CC(I)=C(OS(O)(=O)=O)C=C2)C=C1)C(O)=O

InChI Identifier

InChI=1S/C15H14INO7S/c16-12-8-11(5-6-14(12)24-25(20,21)22)23-10-3-1-9(2-4-10)7-13(17)15(18)19/h1-6,8,13H,7,17H2,(H,18,19)(H,20,21,22)/t13-/m1/s1

InChI Key

HPQMRLCNKPMUJD-CYBMUJFWSA-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 phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Cinnamic acid
Cinnamic acid or derivatives
Coumaric acid
Coumaric acid or derivatives
Hexose monosaccharide
O-glycosyl compound
Styrene
Phenol ether
Phenoxy compound
Benzenoid
Monocyclic benzene moiety
Oxane
Monosaccharide
Secondary alcohol
Polyol
Carboxylic acid derivative
Carboxylic acid
Acetal
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Primary alcohol
Organic oxide
Hydrocarbon derivative
Carbonyl group
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:62251 )
Monolignols (C05839 )

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	-0.28	ALOGPS
logP	1.7	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	-2.6	ChemAxon
pKa (Strongest Basic)	9.46	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	136.15 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	96.69 m³·mol⁻¹	ChemAxon
Polarizability	37.94 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0060076

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB034573

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131769815

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 3'-Monoiodo-L-thyronine 4'-O-sulfate (NP0092347)

MOL for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

3D MOL for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

3D SDF for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

3D-SDF for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

PDB for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

3D PDB for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

SMILES for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

INCHI for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

Structure for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)

3D Structure for NP0092347 (3'-Monoiodo-L-thyronine 4'-O-sulfate)