NP-MRD: Showing NP-Card for phytic acid (NP0263650)

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Record Information

Version

2.0

Created at

2022-09-08 06:53:50 UTC

Updated at

2022-09-08 06:53:50 UTC

NP-MRD ID

NP0263650

Secondary Accession Numbers

None

Natural Product Identification

Common Name

phytic acid

Description

2E-phytenoic acid, also known as 2E-phytenoate, belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. phytic acid is found in Bidens pilosa. 2E-phytenoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 60 59  0  0  0  0  0  0  0  0999 V2000
    4.9812   -2.7125   -0.8217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4512   -1.3738   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795   -0.3680   -1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4466   -0.5952   -2.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6410    0.4043   -3.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9816   -1.7850   -2.9199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679   -1.1576    0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2278    0.2894    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524    0.3805    2.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9262    1.7631    2.5128 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2040    1.6900    3.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1755    2.4039    1.3966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0312    1.7385    0.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1674    1.5104    1.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3418    0.8654    1.0944 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4277    0.6849    2.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717   -0.4013    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -1.0552   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7086   -0.1421   -1.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8833   -0.7552   -2.0599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3958    0.2258   -3.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -2.0642   -2.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5291   -3.1409   -1.7455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6708   -3.4192   -0.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915   -2.7362   -0.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2926    0.6329   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   -1.9252   -3.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3385   -1.4526    1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8015   -1.8465    0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5902    0.5507    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1098    0.9726    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6652   -0.3842    2.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1617    0.1013    3.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573    2.4288    2.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3806    2.4050    3.9528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9697    1.9920    4.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757    0.6500    4.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9117    2.4580    0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9798    3.4954    1.5963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4613    2.3554    0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959    0.8059    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8935    0.9016    2.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    2.4869    2.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6892    1.5865    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701    0.3600    3.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9286    1.6532    2.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1981   -0.0293    1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5266   -1.1683    1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2739   -0.1220   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9019   -1.4470    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7329   -1.9432   -0.8216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157    0.0622   -2.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800    0.8250   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6662   -0.9428   -1.3066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1911    0.8809   -2.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5552    0.9000   -3.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7431   -0.2797   -4.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1955   -2.7938   -1.9608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4712   -2.4708   -3.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8059   -1.9487   -3.5392 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
  3  2  2  0
  2  1  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
  3 26  1  0
  6 27  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  1
 11 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  6
 16 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 18 51  1  0
 19 52  1  0
 19 53  1  0
 20 54  1  0
 21 55  1  0
 21 56  1  0
 21 57  1  0
 22 58  1  0
 22 59  1  0
 22 60  1  0
M  END

Phytenic acid (trans-delta 2-)
  Mrv1572001071617242D          

 23 22  0  0  1  0            999 V2000
   11.9573   -6.7979    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2491   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9573   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5376   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3873   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8192   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -6.7979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3961   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499   -7.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2615   -5.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6248   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4571   -6.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2123   -6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8696   -6.7979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8696   -5.3690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6946   -5.3690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4571   -4.6545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  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
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 19  6  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0263650

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(C(O)=O)=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+/t17-,18-/m1/s1

> <INCHI_KEY>
WDWBNNBRPVEEOD-PFXVRADUSA-N

> <FORMULA>
C20H38O2

> <MOLECULAR_WEIGHT>
310.522

> <EXACT_MASS>
310.287180464

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
40.394526761708576

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid

> <ALOGPS_LOGP>
7.12

> <JCHEM_LOGP>
7.358824828000001

> <ALOGPS_LOGS>
-6.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.1178097666751565

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
96.10469999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phytic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Phytenic acid (trans-delta 2-)                    
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0      22.320 -12.689   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.998 -13.466   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      23.655 -13.466   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.320 -11.149   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      19.670 -12.689   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      24.990 -12.689   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      18.329 -13.466   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      17.007 -12.689   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.673 -13.466   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.007 -11.149   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.351 -12.689   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.016 -13.466   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.688 -12.689   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.360 -13.466   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.688 -11.149   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.300 -11.356   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      28.853 -11.356   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      26.530 -10.022   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      26.530 -12.689   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0      29.623 -12.689   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0      29.623 -10.022   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      31.163 -10.022   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      28.853  -8.688   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6                                                       
CONECT    4    1                                                            
CONECT    5    2    7                                                       
CONECT    6    3   19                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8   11                                                       
CONECT   10    8                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   17   18   19                                                  
CONECT   17   16   20   21                                                  
CONECT   18   16                                                            
CONECT   19   16    6                                                       
CONECT   20   17                                                            
CONECT   21   17   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
2E-Phytenoate	Generator
3,7,11,15-Tetramethylhexadec-2-enoic acid	MeSH
Phytenic acid, (R-(r,r-(e)))-isomer	MeSH

Chemical Formula

C₂₀H₃₈O₂

Average Mass

310.5220 Da

Monoisotopic Mass

310.28718 Da

IUPAC Name

(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enoic acid

Traditional Name

phytic acid

CAS Registry Number

Not Available

SMILES

[H]\C(C(O)=O)=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

InChI Identifier

InChI=1S/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)/b19-15+/t17-,18-/m1/s1

InChI Key

WDWBNNBRPVEEOD-PFXVRADUSA-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
Bidens pilosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Acyclic diterpenoids

Alternative Parents

Substituents

Acyclic diterpenoid
Long-chain fatty acid
Branched fatty acid
Methyl-branched fatty acid
Fatty acyl
Fatty acid
Unsaturated fatty acid
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Acyclic diterpenoids (LMPR0104010023 )

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	7.12	ALOGPS
logP	7.36	ChemAxon
logS	-6.4	ALOGPS
pKa (Strongest Acidic)	5.12	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	96.1 m³·mol⁻¹	ChemAxon
Polarizability	40.39 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	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

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for phytic acid (NP0263650)

MOL for NP0263650 (phytic acid)

3D MOL for NP0263650 (phytic acid)

3D SDF for NP0263650 (phytic acid)

3D-SDF for NP0263650 (phytic acid)

PDB for NP0263650 (phytic acid)

3D PDB for NP0263650 (phytic acid)

SMILES for NP0263650 (phytic acid)

INCHI for NP0263650 (phytic acid)

Structure for NP0263650 (phytic acid)

3D Structure for NP0263650 (phytic acid)