NP-MRD: Showing NP-Card for 2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid (NP0198050)

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Record Information

Version

2.0

Created at

2022-09-04 16:25:57 UTC

Updated at

2022-09-04 16:25:57 UTC

NP-MRD ID

NP0198050

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid

Description

2-Amino-3-({[2-(butanoyloxy)-3-(propanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid belongs to the class of organic compounds known as phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester linkages. 2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid is found in Aloe vera, Amphimedon compressa, Ectyoplasia ferox, Helianthus annuus, Portulaca oleracea and Ruta graveolens. Based on a literature review very few articles have been published on 2-amino-3-({[2-(butanoyloxy)-3-(propanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 48  0  0  0  0  0  0  0  0999 V2000
   -3.3131    2.6848    0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8848    3.6708   -0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0558    3.0666   -1.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2343    1.8358   -2.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122    1.1615   -3.1651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4307    1.3453   -1.0740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434    0.2049   -1.1521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9644   -0.8349   -0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182   -1.2706   -0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -2.2177    0.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -2.6854    1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2202   -2.7195    0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4647   -3.7490    1.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    0.6047   -0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9978    1.2221    0.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    1.6489    0.4338 P   0  0  1  0  0  5  0  0  0  0  0  0
    3.1204    2.1602   -0.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654    2.8723    1.6184 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5042    0.3281    0.9850 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4379   -0.0314    0.0137 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2694   -1.2199    0.4587 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1978   -1.5230   -0.5886 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3507   -2.3505    0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4703   -3.3751   -0.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419   -2.2962    1.6338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9190    1.8567    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338    3.1800    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340    2.2478    1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5530    4.5489   -0.4644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566    4.0256   -0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8013    3.8469   -2.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1057    2.7840   -2.0997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375   -0.2654   -2.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -1.7267   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310   -0.5106    0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9512   -1.8946    0.7081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4409   -3.1836   -0.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6099   -3.7658    2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5273   -4.7749    1.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4368   -3.5645    2.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1656    1.2708   -1.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4756   -0.2908   -0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7026    2.9453    1.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0639    0.8457   -0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8803   -0.2870   -0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7615   -1.0202    1.4352 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3535   -0.6865   -1.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1024   -1.8926   -0.1807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6008   -2.2212    2.6074 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
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  7 14  1  0
 14 15  1  0
 16 15  1  6
 16 18  1  0
 16 17  2  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 25  1  0
 23 24  2  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  0
  3 32  1  0
  7 33  1  6
  8 34  1  0
  8 35  1  0
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 13 40  1  0
 14 41  1  0
 14 42  1  0
 18 43  1  0
 20 44  1  0
 20 45  1  0
 21 46  1  1
 22 47  1  0
 22 48  1  0
 25 49  1  0
M  END


  Mrv1652309042218252D          

 25 24  0  0  0  0            999 V2000
    4.1250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625   -0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0750    2.8579    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.7895    2.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3605    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7250    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3125    5.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5500    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    5.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  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  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198050

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCC(=O)OC(COC(=O)CC)COP(O)(=O)OCC(N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)

> <INCHI_KEY>
UNJJBGNPUUVVFQ-UHFFFAOYSA-N

> <FORMULA>
C13H24NO10P

> <MOLECULAR_WEIGHT>
385.306

> <EXACT_MASS>
385.113782975

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
35.60035176055742

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-({[2-(butanoyloxy)-3-(propanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

> <JCHEM_LOGP>
-1.6207098594369584

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.178396015657449

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4680339991867504

> <JCHEM_PKA_STRONGEST_BASIC>
9.376604467850063

> <JCHEM_POLAR_SURFACE_AREA>
171.68

> <JCHEM_REFRACTIVITY>
81.80879999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       7.700   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.240   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.010   1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.550   1.334   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      12.320   0.000   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      12.320   2.667   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      13.860   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.630   1.334   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      16.170   1.334   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      16.940  -0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.170  -1.334   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      18.480  -0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.250  -1.334   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.630   4.001   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      16.170   4.001   0.000  0.00  0.00           O+0
HETATM   16  P   UNK     0      16.940   5.335   0.000  0.00  0.00           P+0
HETATM   17  O   UNK     0      18.274   4.565   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      15.606   6.105   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      17.710   6.668   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      19.250   6.668   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.020   8.002   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      19.250   9.336   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      21.560   8.002   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      22.330   9.336   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      22.330   6.668   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   14                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12                                                            
CONECT   14    7   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18   19                                             
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   16   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Value	Source
2-Amino-3-({[2-(butanoyloxy)-3-(propanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoate	Generator

Chemical Formula

C₁₃H₂₄NO₁₀P

Average Mass

385.3060 Da

Monoisotopic Mass

385.11378 Da

IUPAC Name

2-amino-3-({[2-(butanoyloxy)-3-(propanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid

Traditional Name

2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid

CAS Registry Number

Not Available

SMILES

CCCC(=O)OC(COC(=O)CC)COP(O)(=O)OCC(N)C(O)=O

InChI Identifier

InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)

InChI Key

UNJJBGNPUUVVFQ-UHFFFAOYSA-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

Species Name	Source	Reference
Aloe vera	LOTUS Database	35616633
Amphimedon compressa	LOTUS Database	35616633
Ectyoplasia ferox	LOTUS Database	35616633
Helianthus annuus	LOTUS Database	35616633
Portulaca oleracea	LOTUS Database	35616633
Ruta graveolens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phosphatidylserines. These are glycerophosphoserines in which two fatty acids are bonded to the glycerol moiety through ester linkages.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoserines

Direct Parent

Phosphatidylserines

Alternative Parents

Substituents

Diacyl-glycerol-3-phosphoserine
Alpha-amino acid
Alpha-amino acid or derivatives
Tricarboxylic acid or derivatives
Phosphoethanolamine
Dialkyl phosphate
Fatty acid ester
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Amino acid or derivatives
Amino acid
Carboxylic acid ester
Carboxylic acid derivative
Carboxylic acid
Primary aliphatic amine
Primary amine
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	-1.6	ChemAxon
pKa (Strongest Acidic)	1.47	ChemAxon
pKa (Strongest Basic)	9.38	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	171.68 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	81.81 m³·mol⁻¹	ChemAxon
Polarizability	35.6 Å³	ChemAxon
Number of Rings	0	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

64881885

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74934166

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid (NP0198050)

MOL for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

3D MOL for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

3D SDF for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

3D-SDF for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

PDB for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

3D PDB for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

SMILES for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

INCHI for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

Structure for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)

3D Structure for NP0198050 (2-amino-3-{[2-(butanoyloxy)-3-(propanoyloxy)propoxy(hydroxy)phosphoryl]oxy}propanoic acid)