NP-MRD: Showing NP-Card for (3s)-3-hydroxyretinal (NP0313056)

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Record Information

Version

2.0

Created at

2022-09-11 10:20:27 UTC

Updated at

2022-09-11 10:20:28 UTC

NP-MRD ID

NP0313056

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s)-3-hydroxyretinal

Description

(3S)-all-trans-3-hydroxyretinal belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Thus, (3S)-all-trans-3-hydroxyretinal is considered to be an isoprenoid. (3s)-3-hydroxyretinal was first documented in 1994 (PMID: 8001586). Based on a literature review very few articles have been published on (3S)-all-trans-3-hydroxyretinal (PMID: 9826202).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 50  0  0  0  0  0  0  0  0999 V2000
   -2.9513   -1.5094   -2.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4605   -0.6753   -1.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5502   -0.1057   -0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1727   -0.3502   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0967    0.0682    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800   -0.2341   -0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6419   -1.0911   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2277    0.3142    0.5876 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6102   -0.0026    0.2500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5742    0.5015    0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9672    0.1851    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2305   -0.6888   -0.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9452    0.6865    1.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3473    0.4300    1.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2480    0.9467    1.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1421    0.6854    0.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7323    1.9496    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447    1.0897    1.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.1845    1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845   -0.4268    0.4527 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4135    0.4930    0.6329 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9078   -0.4953   -0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7913   -1.9158   -2.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3010   -0.8599   -2.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3511   -2.3751   -1.8533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9356   -1.0121   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2534    0.7233    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414   -2.0381   -1.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3957   -0.5091   -1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924   -1.3662   -1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    0.9420    1.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622   -0.6351   -0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384    1.1521    1.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494   -1.0292   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6042   -1.6269   -0.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8679   -0.1668   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6723    1.3405    2.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6980   -0.1873    0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6039    1.9273   -0.8880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1395    2.8500    0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765    2.1244    0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857    2.0383    1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248    0.2619    2.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1430    1.3828    2.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7783   -1.1622    1.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6180    0.2196    2.3639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8404   -1.4194    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4129    0.7608    1.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3990   -1.3817   -1.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3041    0.3756   -1.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 10  1  0
 10  9  2  0
  9  8  1  0
  8  6  2  0
  6  7  1  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 22  1  0
 22 20  1  0
 20 21  1  0
 20 19  1  0
 19 16  1  0
 16 17  1  0
 16 18  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 16  3  1  0
 12 34  1  0
 12 35  1  0
 12 36  1  0
 10 33  1  0
  9 32  1  0
  8 31  1  0
  7 28  1  0
  7 29  1  0
  7 30  1  0
  5 27  1  0
  4 26  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
 22 49  1  0
 22 50  1  0
 20 47  1  1
 21 48  1  0
 19 45  1  0
 19 46  1  0
 17 39  1  0
 17 40  1  0
 17 41  1  0
 18 42  1  0
 18 43  1  0
 18 44  1  0
 13 37  1  0
 14 38  1  0
M  END


  Mrv1652309112212202D          

 22 22  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    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
   -0.7145    2.0625    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
   -2.1434    2.0625    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
   -2.1434    3.7125    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
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  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
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 O   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
    0.1842    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2448    1.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  1  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 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
  3 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 20 22  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0313056

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](O)CC1(C)C)=C/C=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1

> <INCHI_KEY>
QPRQNCDEPWLQRO-IRVDFSNZSA-N

> <FORMULA>
C20H28O2

> <MOLECULAR_WEIGHT>
300.442

> <EXACT_MASS>
300.208930142

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
36.53517951348398

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2E,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal

> <JCHEM_LOGP>
3.4690329316666664

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.907213404525137

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0893213750655364

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
98.53489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   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   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  10.780   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -6.668  13.090   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.344   3.490   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.324   3.490   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4   16                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16    3   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    2                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
(+)-(S)-all-trans-3-Hydroxyretinal	ChEBI

Chemical Formula

C₂₀H₂₈O₂

Average Mass

300.4420 Da

Monoisotopic Mass

300.20893 Da

IUPAC Name

(2E,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal

Traditional Name

(2E,4E,6E,8E)-9-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](O)CC1(C)C)=C/C=O

InChI Identifier

InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m0/s1

InChI Key

QPRQNCDEPWLQRO-IRVDFSNZSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Retinoids

Direct Parent

Retinoids

Alternative Parents

Substituents

Retinoid skeleton
Diterpenoid
Enal
Alpha,beta-unsaturated aldehyde
Secondary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aldehyde
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

retinoid (CHEBI:52229 )
Retinoids (LMPR01090050 )

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	3.47	ChemAxon
pKa (Strongest Acidic)	18.91	ChemAxon
pKa (Strongest Basic)	-1.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	98.53 m³·mol⁻¹	ChemAxon
Polarizability	36.54 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	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

21866022

KEGG Compound ID

C20429

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25229572

PDB ID

Not Available

ChEBI ID

52229

Good Scents ID

Not Available

References

General References

Seki T, Isono K, Ozaki K, Tsukahara Y, Shibata-Katsuta Y, Ito M, Irie T, Katagiri M: The metabolic pathway of visual pigment chromophore formation in Drosophila melanogaster--all-trans (3S)-3-hydroxyretinal is formed from all-trans retinal via (3R)-3-hydroxyretinal in the dark. Eur J Biochem. 1998 Oct 15;257(2):522-7. doi: 10.1046/j.1432-1327.1998.2570522.x. [PubMed:9826202 ]
Seki T, Isono K, Ito M, Katsuta Y: Flies in the group Cyclorrhapha use (3S)-3-hydroxyretinal as a unique visual pigment chromophore. Eur J Biochem. 1994 Dec 1;226(2):691-6. doi: 10.1111/j.1432-1033.1994.tb20097.x. [PubMed:8001586 ]
LOTUS database [Link]

Showing NP-Card for (3s)-3-hydroxyretinal (NP0313056)

MOL for NP0313056 ((3s)-3-hydroxyretinal)

3D MOL for NP0313056 ((3s)-3-hydroxyretinal)

3D SDF for NP0313056 ((3s)-3-hydroxyretinal)

3D-SDF for NP0313056 ((3s)-3-hydroxyretinal)

PDB for NP0313056 ((3s)-3-hydroxyretinal)

3D PDB for NP0313056 ((3s)-3-hydroxyretinal)

SMILES for NP0313056 ((3s)-3-hydroxyretinal)

INCHI for NP0313056 ((3s)-3-hydroxyretinal)

Structure for NP0313056 ((3s)-3-hydroxyretinal)

3D Structure for NP0313056 ((3s)-3-hydroxyretinal)