NP-MRD: Showing NP-Card for Limonexic acid (NP0048444)

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Record Information

Version

2.0

Created at

2022-03-17 20:56:34 UTC

Updated at

2022-03-17 20:56:34 UTC

NP-MRD ID

NP0048444

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Limonexic acid

Description

Limonexic acid, also known as limonexate or limonexin, belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17. Limonexic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, limonexic acid has been detected, but not quantified in, citrus and sweet oranges. Limonexic acid is found in Citrus aurantium, Citrus spp. and Dictamnus angustifolius. This could make limonexic acid a potential biomarker for the consumption of these foods.

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 05061308532D          

 36 42  0  0  0  0            999 V2000
    1.1556    0.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273    0.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064    3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994    2.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821    2.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942    2.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    3.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412    0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488    3.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    2.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185    3.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    2.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    3.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2378    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555    3.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    1.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -0.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283    4.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9206    4.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    3.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215    0.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    2.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4619    4.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700    1.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445    1.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22  1  1  0  0  0  0
 22  2  1  0  0  0  0
 22 13  1  0  0  0  0
 23  3  1  0  0  0  0
 23  6  1  0  0  0  0
 23 18  1  0  0  0  0
 24  4  1  0  0  0  0
 24 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 25 12  1  0  0  0  0
 25 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26 19  1  0  0  0  0
 26 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 14  2  0  0  0  0
 28 16  2  0  0  0  0
 29 17  2  0  0  0  0
 30 20  1  0  0  0  0
 31 21  2  0  0  0  0
 32 10  1  0  0  0  0
 32 16  1  0  0  0  0
 33 17  1  0  0  0  0
 33 20  1  0  0  0  0
 34 18  1  0  0  0  0
 34 21  1  0  0  0  0
 35 15  1  0  0  0  0
 35 22  1  0  0  0  0
 36 19  1  0  0  0  0
 36 26  1  0  0  0  0
M  END


  Mrv0541 05061308532D          

 36 42  0  0  0  0            999 V2000
    1.1556    0.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0273    0.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064    3.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994    2.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821    2.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7942    2.9114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2110    3.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412    0.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6488    3.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6043    2.2616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4185    3.2018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7018    1.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3906    1.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9533    0.5836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7616    2.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1154    3.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2378    4.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1382    2.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5776    0.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9555    3.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3897    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2152    1.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    2.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2336    1.3596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1103    1.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0458    1.5048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852   -0.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283    4.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9206    4.7187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1309    3.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9215    0.3886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    2.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4619    4.5360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6700    1.7952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445    1.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  8  1  0  0  0  0
 15  9  1  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18 11  1  0  0  0  0
 20 11  1  0  0  0  0
 21 19  1  0  0  0  0
 22  1  1  0  0  0  0
 22  2  1  0  0  0  0
 22 13  1  0  0  0  0
 23  3  1  0  0  0  0
 23  6  1  0  0  0  0
 23 18  1  0  0  0  0
 24  4  1  0  0  0  0
 24 12  1  0  0  0  0
 24 14  1  0  0  0  0
 25 10  1  0  0  0  0
 25 12  1  0  0  0  0
 25 13  1  0  0  0  0
 25 15  1  0  0  0  0
 26 19  1  0  0  0  0
 26 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 14  2  0  0  0  0
 28 16  2  0  0  0  0
 29 17  2  0  0  0  0
 30 20  1  0  0  0  0
 31 21  2  0  0  0  0
 32 10  1  0  0  0  0
 32 16  1  0  0  0  0
 33 17  1  0  0  0  0
 33 20  1  0  0  0  0
 34 18  1  0  0  0  0
 34 21  1  0  0  0  0
 35 15  1  0  0  0  0
 35 22  1  0  0  0  0
 36 19  1  0  0  0  0
 36 26  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0048444

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=CC(=O)OC1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3

> <INCHI_KEY>
RTPPVNISJHFPFX-UHFFFAOYSA-N

> <FORMULA>
C26H30O10

> <MOLECULAR_WEIGHT>
502.5104

> <EXACT_MASS>
502.18389718

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
49.47688675667672

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
19-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

> <ALOGPS_LOGP>
1.83

> <JCHEM_LOGP>
1.246031333999998

> <ALOGPS_LOGS>
-3.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.73022841805401

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.303217313744015

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9482194429242328

> <JCHEM_POLAR_SURFACE_AREA>
137.96

> <JCHEM_REFRACTIVITY>
117.66589999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.157   0.510   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.784   1.775   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.865   5.706   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.799   3.807   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.833   5.164   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.349   5.435   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.861   6.405   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.264   0.818   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.211   5.915   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.128   4.222   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.381   5.977   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.310   3.715   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.729   1.996   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.779   1.089   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.422   4.389   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.215   6.495   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -7.911   7.944   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.858   4.528   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.812   1.632   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.517   7.251   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.327   1.903   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.268   2.046   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.342   4.257   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.303   2.538   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.206   3.444   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -3.819   2.809   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.772  -0.088   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -0.426   8.021   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -9.185   8.808   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.978   7.301   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -7.320   0.725   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -1.431   5.550   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.462   8.467   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -6.851   3.351   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.696   3.525   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -3.296   1.361   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2   22                                                            
CONECT    3   23                                                            
CONECT    4   24                                                            
CONECT    5    6   12                                                       
CONECT    6    5   23                                                       
CONECT    7   11   17                                                       
CONECT    8   13   14                                                       
CONECT    9   15   16                                                       
CONECT   10   25   32                                                       
CONECT   11    7   18   20                                                  
CONECT   12    5   24   25                                                  
CONECT   13    8   22   25                                                  
CONECT   14    8   24   27                                                  
CONECT   15    9   25   35                                                  
CONECT   16    9   28   32                                                  
CONECT   17    7   29   33                                                  
CONECT   18   11   23   34                                                  
CONECT   19   21   26   36                                                  
CONECT   20   11   30   33                                                  
CONECT   21   19   31   34                                                  
CONECT   22    1    2   13   35                                             
CONECT   23    3    6   18   26                                             
CONECT   24    4   12   14   26                                             
CONECT   25   10   12   13   15                                             
CONECT   26   19   23   24   36                                             
CONECT   27   14                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   10   16                                                       
CONECT   33   17   20                                                       
CONECT   34   18   21                                                       
CONECT   35   15   22                                                       
CONECT   36   19   26                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   84    0
END

View in JSmol

Synonyms

Value	Source
Limonexate	Generator
Limonexin	HMDB
Shihulimonin a	HMDB

Chemical Formula

C₂₆H₃₀O₁₀

Average Mass

502.5104 Da

Monoisotopic Mass

502.18390 Da

IUPAC Name

19-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

Traditional Name

19-(2-hydroxy-5-oxo-2H-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione

CAS Registry Number

99026-99-0

SMILES

CC1(C)OC2CC(=O)OCC22C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=CC(=O)OC1O

InChI Identifier

InChI=1S/C26H30O10/c1-22(2)13-8-14(27)24(4)12(25(13)10-32-16(28)9-15(25)35-22)5-6-23(3)18(11-7-17(29)33-20(11)30)34-21(31)19-26(23,24)36-19/h7,12-13,15,18-20,30H,5-6,8-10H2,1-4H3

InChI Key

RTPPVNISJHFPFX-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Citrus aurantium	LOTUS Database	35616633
Citrus spp.	Plant	KNApSAcK
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dictamnus angustifolius	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Limonoids

Alternative Parents

Substituents

Limonoid skeleton
Steroid lactone
11-oxosteroid
Oxosteroid
2-oxosteroid
Steroid
Naphthopyran
Naphthalene
Tricarboxylic acid or derivatives
1,4-dioxepane
Delta valerolactone
Dioxepane
Delta_valerolactone
Oxane
Pyran
2-furanone
Tetrahydrofuran
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Dihydrofuran
Carboxylic acid ester
Lactone
Ketone
Hemiacetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Dialkyl ether
Oxirane
Ether
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Organooxygen compound
Organic oxide
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	1.83	ALOGPS
logP	1.25	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	5.3	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	137.96 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	117.67 m³·mol⁻¹	ChemAxon
Polarizability	49.48 Å³	ChemAxon
Number of Rings	7	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

HMDB0036075

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014907

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

76419898

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Limonexic acid (NP0048444)

MOL for NP0048444 (Limonexic acid)

3D MOL for NP0048444 (Limonexic acid)

3D SDF for NP0048444 (Limonexic acid)

3D-SDF for NP0048444 (Limonexic acid)

PDB for NP0048444 (Limonexic acid)

3D PDB for NP0048444 (Limonexic acid)

SMILES for NP0048444 (Limonexic acid)

INCHI for NP0048444 (Limonexic acid)

Structure for NP0048444 (Limonexic acid)

3D Structure for NP0048444 (Limonexic acid)