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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (5) Show 5 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 19:26:48 UTC

Update Date

2021-10-01 23:08:58 UTC

HMDB ID

HMDB0258206

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Sedoheptulose 7-phosphate

Description

D-sedoheptulose 7-phosphate belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. D-sedoheptulose 7-phosphate exists in all living organisms, ranging from bacteria to humans. In humans, D-sedoheptulose 7-phosphate is involved in the metabolic disorder called the glucose-6-phosphate dehydrogenase deficiency pathway. D-sedoheptulose 7-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on D-sedoheptulose 7-phosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Sedoheptulose 7-phosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Sedoheptulose 7-phosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0258206
     RDKit          3D
Sedoheptulose 7-phosphate
 33 32  0  0  0  0  0  0  0  0999 V2000
    1.7745   -1.4494    0.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -0.5217    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997   -0.8565    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854   -2.2068    1.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    0.8508    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.6677    0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5222    1.0021   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.3669   -1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.1519   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.4098   -2.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581    0.4804   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    1.8113   -0.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -0.3516   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    0.0001    0.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104   -0.8162    0.4257 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.4878   -1.6617   -0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -1.8293    1.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742    0.3189    0.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -0.2757    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232   -0.5748    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932   -2.7018    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    1.2539    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8239    1.5626   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.7445   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    2.8201   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170   -0.9244   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -0.4110   -2.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949    0.3011    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    1.9643   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -1.4061   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -0.2474   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4775   -2.4440    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4928    0.9718    1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
M  END


  Mrv1652303102018232D          

 18 17  0  0  0  0            999 V2000
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954    2.1434    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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17  5  1  0  0  0  0
 18  5  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258206

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)

> <INCHI_KEY>
JDTUMPKOJBQPKX-UHFFFAOYSA-N

> <FORMULA>
C7H15O10P

> <MOLECULAR_WEIGHT>
290.1618

> <EXACT_MASS>
290.040283212

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
23.37039425786358

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2,3,4,5,7-pentahydroxy-6-oxoheptyl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-1.93

> <JCHEM_LOGP>
-4.020932865333332

> <ALOGPS_LOGS>
-1.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.517266191155728

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4919085850931308

> <JCHEM_PKA_STRONGEST_BASIC>
-3.327632992890398

> <JCHEM_POLAR_SURFACE_AREA>
184.98

> <JCHEM_REFRACTIVITY>
54.3972

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.51e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sedoheptulose 7-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258206
     RDKit          3D
Sedoheptulose 7-phosphate
 33 32  0  0  0  0  0  0  0  0999 V2000
    1.7745   -1.4494    0.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -0.5217    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997   -0.8565    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854   -2.2068    1.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    0.8508    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.6677    0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5222    1.0021   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.3669   -1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.1519   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.4098   -2.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581    0.4804   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    1.8113   -0.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -0.3516   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    0.0001    0.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104   -0.8162    0.4257 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.4878   -1.6617   -0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -1.8293    1.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742    0.3189    0.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -0.2757    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232   -0.5748    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932   -2.7018    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    1.2539    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8239    1.5626   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.7445   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    2.8201   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170   -0.9244   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -0.4110   -2.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949    0.3011    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    1.9643   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -1.4061   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -0.2474   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4775   -2.4440    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4928    0.9718    1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
M  END

HEADER    PROTEIN                                 10-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-MAR-20         0                                  
HETATM    1  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       3.286   4.977   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.953   2.667   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.619   3.437   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0      -0.715   2.667   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0      -2.048   1.897   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       5.954   4.977   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       7.287   1.127   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       8.621   4.977   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.055   1.334   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.485   4.001   0.000  0.00  0.00           O+0
CONECT    1    2    3    7                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   17   18                                             
CONECT    6    5                                                            
CONECT    7    1    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15                                                            
CONECT   17    5                                                            
CONECT   18    5                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0258206
HETATM    1  O1  UNL     1       1.774  -1.449   0.914  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.550  -0.522   0.845  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.000  -0.856   1.080  1.00  0.00           C  
HETATM    4  O2  UNL     1       4.185  -2.207   1.341  1.00  0.00           O  
HETATM    5  C3  UNL     1       2.122   0.851   0.552  1.00  0.00           C  
HETATM    6  O3  UNL     1       3.268   1.668   0.603  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.522   1.002  -0.851  1.00  0.00           C  
HETATM    8  O4  UNL     1       1.215   2.367  -1.004  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.310   0.152  -1.037  1.00  0.00           C  
HETATM   10  O5  UNL     1      -0.167   0.410  -2.327  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.758   0.480  -0.037  1.00  0.00           C  
HETATM   12  O6  UNL     1      -1.093   1.811  -0.147  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.009  -0.352  -0.332  1.00  0.00           C  
HETATM   14  O7  UNL     1      -2.973   0.000   0.602  1.00  0.00           O  
HETATM   15  P1  UNL     1      -4.410  -0.816   0.426  1.00  0.00           P  
HETATM   16  O8  UNL     1      -4.488  -1.662  -0.812  1.00  0.00           O  
HETATM   17  O9  UNL     1      -4.748  -1.829   1.747  1.00  0.00           O  
HETATM   18  O10 UNL     1      -5.674   0.319   0.352  1.00  0.00           O  
HETATM   19  H1  UNL     1       4.375  -0.276   1.940  1.00  0.00           H  
HETATM   20  H2  UNL     1       4.523  -0.575   0.131  1.00  0.00           H  
HETATM   21  H3  UNL     1       4.293  -2.702   0.470  1.00  0.00           H  
HETATM   22  H4  UNL     1       1.390   1.254   1.255  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.824   1.563  -0.216  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.299   0.744  -1.584  1.00  0.00           H  
HETATM   25  H7  UNL     1       1.127   2.820  -0.123  1.00  0.00           H  
HETATM   26  H8  UNL     1       0.617  -0.924  -0.995  1.00  0.00           H  
HETATM   27  H9  UNL     1      -0.257  -0.411  -2.872  1.00  0.00           H  
HETATM   28  H10 UNL     1      -0.395   0.301   0.984  1.00  0.00           H  
HETATM   29  H11 UNL     1      -1.406   1.964  -1.082  1.00  0.00           H  
HETATM   30  H12 UNL     1      -1.730  -1.406  -0.128  1.00  0.00           H  
HETATM   31  H13 UNL     1      -2.316  -0.247  -1.368  1.00  0.00           H  
HETATM   32  H14 UNL     1      -5.477  -2.444   1.493  1.00  0.00           H  
HETATM   33  H15 UNL     1      -5.493   0.972   1.094  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   19   20
CONECT    4   21
CONECT    5    6    7   22
CONECT    6   23
CONECT    7    8    9   24
CONECT    8   25
CONECT    9   10   11   26
CONECT   10   27
CONECT   11   12   13   28
CONECT   12   29
CONECT   13   14   30   31
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   32
CONECT   18   33
END

HMDB0258206
     RDKit          3D
Sedoheptulose 7-phosphate
 33 32  0  0  0  0  0  0  0  0999 V2000
    1.7745   -1.4494    0.9144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -0.5217    0.8452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9997   -0.8565    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854   -2.2068    1.3409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219    0.8508    0.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2683    1.6677    0.6033 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5222    1.0021   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2150    2.3669   -1.0037 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3098    0.1519   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1670    0.4098   -2.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581    0.4804   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0932    1.8113   -0.1470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0086   -0.3516   -0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734    0.0001    0.6017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4104   -0.8162    0.4257 P   0  0  0  0  0  5  0  0  0  0  0  0
   -4.4878   -1.6617   -0.8117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7478   -1.8293    1.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742    0.3189    0.3518 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747   -0.2757    1.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5232   -0.5748    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932   -2.7018    0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    1.2539    1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8239    1.5626   -0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2988    0.7445   -1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    2.8201   -0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170   -0.9244   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569   -0.4110   -2.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3949    0.3011    0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062    1.9643   -1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7302   -1.4061   -0.1283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3155   -0.2474   -1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4775   -2.4440    1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4928    0.9718    1.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 11 28  1  0
 12 29  1  0
 13 30  1  0
 13 31  1  0
 17 32  1  0
 18 33  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
D-Sedoheptulose 7-phosphoric acid	Generator
Sedoheptulose 7-phosphate	MeSH, HMDB
Heptulose-7-phosphate	MeSH, HMDB
Sedoheptulose 7-phosphoric acid(2-)	Generator

Chemical Formula

C₇H₁₅O₁₀P

Average Molecular Weight

290.1618

Monoisotopic Molecular Weight

290.040283212

IUPAC Name

[(2,3,4,5,7-pentahydroxy-6-oxoheptyl)oxy]phosphonic acid

Traditional Name

sedoheptulose 7-phosphate

CAS Registry Number

Not Available

SMILES

OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O

InChI Identifier

InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)

InChI Key

JDTUMPKOJBQPKX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Heptose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Acyloin
Beta-hydroxy ketone
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Alpha-hydroxy ketone
Ketone
Secondary alcohol
Polyol
Hydrocarbon derivative
Organic oxide
Carbonyl group
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Not Available

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Photosynthesis (PathBank: SMP0012089)
Calvin-Benson Cycle (PathBank: SMP0012094)
Pentose Phosphate Pathway (PathBank: SMP0012443)

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-1.9	ALOGPS
logP	-4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	184.98 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	54.4 m³·mol⁻¹	ChemAxon
Polarizability	23.37 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	145.405	30932474
DeepCCS	[M-H]-	143.047	30932474
DeepCCS	[M-2H]-	175.955	30932474
DeepCCS	[M+Na]+	151.498	30932474
AllCCS	[M+H]+	160.8	32859911
AllCCS	[M+H-H2O]+	157.7	32859911
AllCCS	[M+NH4]+	163.7	32859911
AllCCS	[M+Na]+	164.5	32859911
AllCCS	[M-H]-	153.8	32859911
AllCCS	[M+Na-2H]-	154.1	32859911
AllCCS	[M+HCOO]-	154.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Sedoheptulose 7-phosphate	OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O	3725.6	Standard polar	33892256
Sedoheptulose 7-phosphate	OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O	2075.9	Standard non polar	33892256
Sedoheptulose 7-phosphate	OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O	2533.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Sedoheptulose 7-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2464.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2466.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2837.7	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2529.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2449.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2865.2	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2541.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2505.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2927.4	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #12	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2477.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #12	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2485.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #12	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2728.1	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2528.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2465.3	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #13	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2958.1	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2537.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2495.0	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #14	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3016.8	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2536.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2467.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #15	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2846.8	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2549.0	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2509.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #16	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2905.9	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2521.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2475.7	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #17	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2868.4	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #18	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2540.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #18	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2517.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #18	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2931.6	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #19	C[Si](C)(C)OCC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2477.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #19	C[Si](C)(C)OCC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2475.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #19	C[Si](C)(C)OCC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2754.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2557.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2452.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	3074.9	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2539.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2485.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #20	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3003.7	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #21	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2539.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #21	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2511.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #21	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3056.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #22	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2547.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #22	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2487.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #22	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2883.2	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #23	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2539.0	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #23	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2518.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #23	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2941.2	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #24	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2565.3	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #24	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2493.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #24	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2888.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #25	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2543.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #25	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2531.0	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #25	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2961.8	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2541.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2498.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #26	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2884.7	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #27	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2521.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #27	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2528.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #27	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2946.3	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #28	C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO	2472.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #28	C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO	2468.3	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #28	C[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)CO	2731.3	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #29	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2521.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #29	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2455.0	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #29	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2938.6	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2551.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2500.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	3135.0	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #30	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2516.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #30	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2520.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #30	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2976.6	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #31	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2519.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #31	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2458.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #31	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2826.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #32	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2520.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #32	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2522.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #32	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2868.4	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #33	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #33	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2465.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #33	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2829.2	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #34	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2522.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #34	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2530.3	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #34	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2881.1	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #35	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2512.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #35	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2474.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #35	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2822.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #36	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2525.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #36	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2526.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #36	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2867.0	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #37	C[Si](C)(C)OC(CO)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2536.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #37	C[Si](C)(C)OC(CO)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2498.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #37	C[Si](C)(C)OC(CO)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2862.2	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #38	C[Si](C)(C)OC(=CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #38	C[Si](C)(C)OC(=CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2547.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #38	C[Si](C)(C)OC(=CO)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2907.9	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #4	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2471.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #4	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2485.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #4	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2732.8	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	2539.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	2452.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	2951.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	2537.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	2489.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #6	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C	3006.3	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #7	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2475.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #7	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2492.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #7	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2749.5	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2544.0	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2460.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2955.8	Standard polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2534.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2500.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,6TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	3023.8	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2480.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2529.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #1	C[Si](C)(C)OCC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2652.0	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2537.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2537.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2784.1	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.7	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2566.7	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #11	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2828.0	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #12	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2527.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #12	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2506.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #12	C[Si](C)(C)OC(CO)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2728.6	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #13	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2499.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #13	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2571.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #13	C[Si](C)(C)OC(=CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2756.6	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2540.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2505.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2848.9	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2519.4	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2540.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #3	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2889.6	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2534.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2503.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2756.8	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2522.0	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2551.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #5	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2799.0	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2543.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2512.3	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2758.0	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #7	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2529.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #7	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2559.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #7	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2812.3	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2528.5	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2518.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2750.8	Standard polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2528.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2553.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,7TMS,isomer #9	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2795.5	Standard polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2582.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2567.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2711.7	Standard polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #2	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2549.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #2	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2612.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,8TMS,isomer #2	C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2733.0	Standard polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3360.4	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3158.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3684.4	Standard polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3359.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3174.3	Standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3725.7	Standard polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3341.4	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3099.2	Standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3618.5	Standard polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3338.2	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3200.1	Standard non polar	33892256
Sedoheptulose 7-phosphate,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3653.7	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3576.9	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3288.4	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3450.1	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3550.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3317.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3487.3	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3527.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3250.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3500.9	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3510.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3374.6	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3523.7	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3552.8	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3233.9	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(CO)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3394.7	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3526.1	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3341.8	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3424.5	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3532.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3263.5	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3518.5	Standard polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3508.6	Semi standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3321.0	Standard non polar	33892256
Sedoheptulose 7-phosphate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3558.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (Non-derivatized) - 70eV, Positive	splash10-0532-9010163000-acf4f0352711d42c5fd6	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Sedoheptulose 7-phosphate(2-) GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 10V, Positive-QTOF	splash10-006x-3590000000-b34117115db1142c20a4	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 20V, Positive-QTOF	splash10-0a4m-9710000000-f24eb76da4873de6d41f	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 40V, Positive-QTOF	splash10-0a4i-9300000000-b8503ab37c97a6fff189	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 10V, Negative-QTOF	splash10-052r-9730000000-02687371ce694d179c1a	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 20V, Negative-QTOF	splash10-004j-9200000000-27d52a9bf7e9b234f147	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Sedoheptulose 7-phosphate 40V, Negative-QTOF	splash10-004i-9000000000-4a6e471e293da809c157	2015-09-15	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00019575

Chemspider ID

596

KEGG Compound ID

C05382

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

616

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Enzymes

Enzyme Details

1. Phosphoheptose isomerase

General function:: Not Available
Specific function:: Catalyzes the isomerization of sedoheptulose 7-phosphate in D-glycero-D-manno-heptose 7-phosphate.
Gene Name:: GMHA
Uniprot ID:: Q0BRW8
Molecular weight:: 21064.74

Enzyme Details

2. Phosphoheptose isomerase

General function:: Not Available
Specific function:: Catalyzes the isomerization of sedoheptulose 7-phosphate in D-glycero-D-manno-heptose 7-phosphate.
Gene Name:: GMHA
Uniprot ID:: B9KFJ1
Molecular weight:: 20110.925

Enzyme Details

3. Phosphoheptose isomerase

General function:: Not Available
Specific function:: Catalyzes the isomerization of sedoheptulose 7-phosphate in D-glycero-D-manno-heptose 7-phosphate.
Gene Name:: GMHA
Uniprot ID:: Q9ZKZ1
Molecular weight:: 21022.915

Enzyme Details

4. Phosphoheptose isomerase

General function:: Not Available
Specific function:: Catalyzes the isomerization of sedoheptulose 7-phosphate in D-glycero-D-manno-heptose 7-phosphate.
Gene Name:: GMHA
Uniprot ID:: Q5PF73
Molecular weight:: 20895.615

Enzyme Details

5. Phosphoheptose isomerase

General function:: Not Available
Specific function:: Catalyzes the isomerization of sedoheptulose 7-phosphate in D-glycero-D-manno-heptose 7-phosphate.
Gene Name:: GMHA
Uniprot ID:: A7ZE25
Molecular weight:: 20013.58

Showing metabocard for Sedoheptulose 7-phosphate (HMDB0258206)

MOL for HMDB0258206 (Sedoheptulose 7-phosphate)

3D MOL for HMDB0258206 (Sedoheptulose 7-phosphate)

3D SDF for HMDB0258206 (Sedoheptulose 7-phosphate)

3D-SDF for HMDB0258206 (Sedoheptulose 7-phosphate)

PDB for HMDB0258206 (Sedoheptulose 7-phosphate)

3D PDB for HMDB0258206 (Sedoheptulose 7-phosphate)

SMILES for HMDB0258206 (Sedoheptulose 7-phosphate)

INCHI for HMDB0258206 (Sedoheptulose 7-phosphate)

Structure for HMDB0258206 (Sedoheptulose 7-phosphate)

3D Structure for HMDB0258206 (Sedoheptulose 7-phosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes