NP-MRD: Showing NP-Card for Glucoraphanin (NP0049095)

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Record Information

Version

2.0

Created at

2022-03-17 21:07:03 UTC

Updated at

2022-03-17 21:07:03 UTC

NP-MRD ID

NP0049095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Glucoraphanin

Description

Glucoraphanin is found in Alyssoides utriculata, Arabidopsis thaliana, Biscutella didyma, Brassica sp., Brassica sprouts, Bunias orientalis , Cakile edentula, Cakile maritima , Cardaria chalapensis, Chorispora tenella, Diplotaxis griffithii, Diplotaxis tenuifolia , Eruca longirostris, Erysimum allionii, Erysimum perofskianum, Euzomodendron bourgaeanum, Farsetia clypeata, Farsetia jacquemontii , Fibigia macrocarpa, Isatis djurdjura, Isatis tinctoria , Lepidium austrinum, Lepidium draba , Lepidium perfoliatum, Lesquerella engelmannii, Lesquerella ludoviciana, Malcolmia africana, Physaria angustifolia, Physaria floribunda, Pringlea antiscorbutica, Sterigmostemum incanum and Thelypodium crispum.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305221920342D          

 31 31  0  0  1  0            999 V2000
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    8.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8908    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  1  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
  9 15  1  6  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 22  7  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24  8  1  0  0  0  0
 12 24  1  1  0  0  0
 25  1  1  0  0  0  0
 25  5  1  0  0  0  0
 25 18  2  0  0  0  0
 26 19  1  0  0  0  0
 26 20  2  0  0  0  0
 26 21  2  0  0  0  0
 26 23  1  0  0  0  0
  7 27  1  6  0  0  0
  9 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  1  0  0  0
 12 31  1  6  0  0  0
M  CHG  1  19  -1
M  END


  Mrv1652305221920342D          

 31 31  0  0  1  0            999 V2000
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592    7.0125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    7.0125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5408    8.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8908    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    8.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.8375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    6.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  1  0  0  0
  8  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  2  0  0  0  0
 14  6  1  0  0  0  0
  9 15  1  6  0  0  0
 10 16  1  6  0  0  0
 11 17  1  6  0  0  0
 22  7  1  0  0  0  0
 22 12  1  0  0  0  0
 23 13  1  0  0  0  0
 24  8  1  0  0  0  0
 12 24  1  1  0  0  0
 25  1  1  0  0  0  0
 25  5  1  0  0  0  0
 25 18  2  0  0  0  0
 26 19  1  0  0  0  0
 26 20  2  0  0  0  0
 26 21  2  0  0  0  0
 26 23  1  0  0  0  0
  7 27  1  6  0  0  0
  9 28  1  1  0  0  0
 10 29  1  6  0  0  0
 11 30  1  1  0  0  0
 12 31  1  6  0  0  0
M  CHG  1  19  -1
M  END
> <DATABASE_ID>
NP0049095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(CO)O[C@@]([H])(S\C(CCCCS(C)=O)=N\OS([O-])(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1

> <INCHI_KEY>
GMMLNKINDDUDCF-RFOBZYEESA-M

> <FORMULA>
C12H22NO10S3

> <MOLECULAR_WEIGHT>
436.499

> <EXACT_MASS>
436.040582999

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
48

> <JCHEM_AVERAGE_POLARIZABILITY>
40.16211495234847

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.98

> <JCHEM_LOGP>
-4.67692877143517

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.44767579367052

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.713651356953833

> <JCHEM_PKA_STRONGEST_BASIC>
-0.4426326466562146

> <JCHEM_POLAR_SURFACE_AREA>
186.01

> <JCHEM_REFRACTIVITY>
92.49729999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.47e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.672  10.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.338  11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.338  13.090   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.004  13.860   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.670  13.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.670  11.550   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      12.003  13.090   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      20.005  11.550   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      18.672  13.860   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      16.004  15.400   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      13.337  13.860   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      12.209  15.400   0.000  0.00  0.00           O-1
HETATM   20  O   UNK     0       9.129  15.400   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      10.669  16.940   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      16.004  10.780   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      10.669  13.860   0.000  0.00  0.00           O+0
HETATM   24  S   UNK     0      13.337  10.780   0.000  0.00  0.00           S+0
HETATM   25  S   UNK     0       5.335  10.780   0.000  0.00  0.00           S+0
HETATM   26  S   UNK     0      10.669  15.400   0.000  0.00  0.00           S+0
HETATM   27  H   UNK     0      18.672  12.320   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0      17.338  14.630   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0      16.004  12.320   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0      14.670  14.630   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      13.337  12.320   0.000  0.00  0.00           H+0
CONECT    1   25                                                            
CONECT    2    3    4                                                       
CONECT    3    2    5                                                       
CONECT    4    2    8                                                       
CONECT    5    3   25                                                       
CONECT    6    7   14                                                       
CONECT    7    6    9   22   27                                             
CONECT    8    4   13   24                                                  
CONECT    9    7   10   15   28                                             
CONECT   10    9   11   16   29                                             
CONECT   11   10   12   17   30                                             
CONECT   12   11   22   24   31                                             
CONECT   13    8   23                                                       
CONECT   14    6                                                            
CONECT   15    9                                                            
CONECT   16   10                                                            
CONECT   17   11                                                            
CONECT   18   25                                                            
CONECT   19   26                                                            
CONECT   20   26                                                            
CONECT   21   26                                                            
CONECT   22    7   12                                                       
CONECT   23   13   26                                                       
CONECT   24    8   12                                                       
CONECT   25    1    5   18                                                  
CONECT   26   19   20   21   23                                             
CONECT   27    7                                                            
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   62    0
END

View in JSmol

Synonyms

Value	Source
β-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)	MetaCyc
β-D-glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidic acid)	Generator
β-D-glucopyranose, 1-thio-, 1-(5-(methylsulphinyl)-N-(sulphooxy)pentanimidate)	Generator
β-D-glucopyranose, 1-thio-, 1-(5-(methylsulphinyl)-N-(sulphooxy)pentanimidic acid)	Generator
4-(Methylsulfinyl)butyl glucosinolate	HMDB
4-Methylsulfinylbutyl glucosinolate	HMDB

Chemical Formula

C₁₂H₂₂NO₁₀S₃

Average Mass

436.4990 Da

Monoisotopic Mass

436.04058 Da

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol

Traditional Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{[(1E)-5-methanesulfinyl-1-[(sulfooxy)imino]pentyl]sulfanyl}oxane-3,4,5-triol

CAS Registry Number

21414-41-5

SMILES

[H][C@]1(CO)O[C@@]([H])(S\C(CCCCS(C)=O)=N\OS([O-])(=O)=O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O

InChI Identifier

InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1

InChI Key

GMMLNKINDDUDCF-RFOBZYEESA-M

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Alyssoides utriculata	Plant	KNApSAcK
Arabidopsis thaliana	Plant	KNApSAcK
Biscutella didyma	Plant	KNApSAcK
Brassica napus	FooDB	PHYTOHUB
Brassica oleracea	FooDB	KNAPSACK
Brassica oleracea var. botrytis	FooDB	15963940
Brassica oleracea var. capitata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gemmifera	FooDB	15963940
Brassica oleracea var. italica	FooDB	12720387
Brassica rapa	FooDB	KNAPSACK
Brassica sp.	Plant	KNApSAcK
Brassica sprouts	Plant	KNApSAcK
Bunias orientalis	Plant	KNApSAcK
Cakile edentula	Plant	KNApSAcK
Cakile maritima	Plant	KNApSAcK
Cardaria chalapensis	Plant	KNApSAcK
Chorispora tenella	Plant	KNApSAcK
Diplotaxis griffithii	Plant	KNApSAcK
Diplotaxis tenuifolia	Plant	KNApSAcK
Eruca longirostris	Plant	KNApSAcK
Eruca vesicaria subsp. Sativa	FooDB	PHYTOHUB
Erysimum allionii	Plant	KNApSAcK
Erysimum perofskianum	Plant	KNApSAcK
Euzomodendron bourgaeanum	Plant	KNApSAcK
Farsetia clypeata	Plant	KNApSAcK
Farsetia jacquemontii	Plant	KNApSAcK
Fibigia macrocarpa	Plant	KNApSAcK
Isatis djurdjura	Plant	KNApSAcK
Isatis tinctoria	Plant	KNApSAcK
Lepidium austrinum	Plant	KNApSAcK
Lepidium draba	Plant	KNApSAcK
Lepidium perfoliatum	Plant	KNApSAcK
Lesquerella engelmannii	Plant	KNApSAcK
Lesquerella ludoviciana	Plant	KNApSAcK
Malcolmia africana	Plant	KNApSAcK
Physaria angustifolia	Plant	KNApSAcK
Physaria floribunda	Plant	KNApSAcK
Pringlea antiscorbutica	Plant	KNApSAcK
Raphanus sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sterigmostemum incanum	Plant	KNApSAcK
Thelypodium crispum	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alkylglucosinolates. These are organic compounds containing a glucosinolate moiety that carries an alkyl chain.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Alkylglucosinolates

Alternative Parents

Substituents

Alkylglucosinolate
Glycosyl compound
S-glycosyl compound
Oxane
Monothioacetal
Organic sulfuric acid or derivatives
Secondary alcohol
Sulfoxide
Polyol
Oxacycle
Organoheterocyclic compound
Sulfinyl compound
Sulfenyl compound
Primary alcohol
Alcohol
Hydrocarbon derivative
Organosulfur compound
Organonitrogen compound
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Organic anion
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	-0.98	ALOGPS
logP	-4.7	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	-3.7	ChemAxon
pKa (Strongest Basic)	-0.44	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	186.01 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	92.5 m³·mol⁻¹	ChemAxon
Polarizability	40.16 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB017756

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Glucoraphanin

METLIN ID

Not Available

PubChem Compound

9548633

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Glucoraphanin (NP0049095)

MOL for NP0049095 (Glucoraphanin)

3D MOL for NP0049095 (Glucoraphanin)

3D SDF for NP0049095 (Glucoraphanin)

3D-SDF for NP0049095 (Glucoraphanin)

PDB for NP0049095 (Glucoraphanin)

3D PDB for NP0049095 (Glucoraphanin)

SMILES for NP0049095 (Glucoraphanin)

INCHI for NP0049095 (Glucoraphanin)

Structure for NP0049095 (Glucoraphanin)

3D Structure for NP0049095 (Glucoraphanin)