MiMeDB: Showing metabocard for CDP-2,3-bis-O-(phytanyl)-sn-glycerol (MMDBc0055791)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-06-17 20:06:36 UTC

Update Date

2025-10-07 16:09:21 UTC

Metabolite ID

MMDBc0055791

Metabolite Identification

Common Name

CDP-2,3-bis-O-(phytanyl)-sn-glycerol

Description

CDP-2,3-bis-O-(phytanyl)-sn-glycerol is a phospholipid. There is little literature available on this metabolite, indicating that it may not be widely studied or characterized in the current biomedical research.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172222062D          

 81 82  0  0  1  0            999 V2000
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M  CHG  2  58  -1  59  -1
M  END


  Mrv1652306172222062D          

 81 82  0  0  1  0            999 V2000
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   22.0613  -17.1141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0529  -18.2821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4702  -17.6999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3545  -16.1721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 11  1  0  0  0  0
 18 12  1  0  0  0  0
 19 11  1  0  0  0  0
 20 12  1  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  1  0  0  0  0
 32 29  2  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
 38  1  1  0  0  0  0
 38  2  1  0  0  0  0
 38 17  1  0  0  0  0
 39  3  1  0  0  0  0
 39  4  1  0  0  0  0
 39 18  1  0  0  0  0
 40  5  1  1  0  0  0
 40 19  1  0  0  0  0
 40 21  1  0  0  0  0
 41  6  1  1  0  0  0
 41 20  1  0  0  0  0
 41 22  1  0  0  0  0
 42  7  1  1  0  0  0
 42 23  1  0  0  0  0
 42 25  1  0  0  0  0
 43  8  1  1  0  0  0
 43 24  1  0  0  0  0
 43 26  1  0  0  0  0
 44  9  1  1  0  0  0
 44 27  1  0  0  0  0
 44 30  1  0  0  0  0
 45 10  1  1  0  0  0
 45 28  1  0  0  0  0
 45 31  1  0  0  0  0
 46 35  1  0  0  0  0
 46 36  1  0  0  0  0
 47 37  1  1  0  0  0
 48 29  1  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 53 48  2  0  0  0  0
 54 48  1  0  0  0  0
 54 52  2  0  0  0  0
 55 32  1  0  0  0  0
 51 55  1  1  0  0  0
 55 52  1  0  0  0  0
 49 56  1  6  0  0  0
 50 57  1  6  0  0  0
 58 52  1  0  0  0  0
 63 33  1  0  0  0  0
 63 35  1  0  0  0  0
 64 34  1  0  0  0  0
 46 64  1  1  0  0  0
 65 36  1  0  0  0  0
 66 37  1  0  0  0  0
 67 47  1  0  0  0  0
 67 51  1  0  0  0  0
 69 59  1  0  0  0  0
 69 60  2  0  0  0  0
 69 65  1  0  0  0  0
 69 68  1  0  0  0  0
 70 61  1  0  0  0  0
 70 62  2  0  0  0  0
 70 66  1  0  0  0  0
 70 68  1  0  0  0  0
 40 71  1  6  0  0  0
 41 72  1  6  0  0  0
 42 73  1  6  0  0  0
 43 74  1  6  0  0  0
 44 75  1  6  0  0  0
 45 76  1  6  0  0  0
 46 77  1  1  0  0  0
 47 78  1  6  0  0  0
 49 79  1  1  0  0  0
 50 80  1  1  0  0  0
 51 81  1  6  0  0  0
M  CHG  2  58  -1  59  -1
M  END
> <DATABASE_ID>
MMDBc0055791

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCOC[C@@]([H])(COP([O-])(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2[O-])[C@]([H])(O)[C@]1([H])O)OCC[C@]([H])(C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C52H101N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h29,32,38-47,49-51,56-57H,11-28,30-31,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/p-2/t40-,41-,42-,43-,44-,45-,46+,47-,49-,50-,51-/m1/s1

> <INCHI_KEY>
JXITWCJAPKTFER-DDEUYAGPSA-L

> <FORMULA>
C52H99N3O13P2

> <MOLECULAR_WEIGHT>
1036.321

> <EXACT_MASS>
1035.666411416

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
169

> <JCHEM_AVERAGE_POLARIZABILITY>
118.99557167801018

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[(2R,3R,4S,5R)-5-{[({[(2S)-2,3-bis({[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy})propyl phosphono]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-olate

> <JCHEM_LOGP>
12.691166344239088

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.345579972104942

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5531036563207588

> <JCHEM_PKA_STRONGEST_BASIC>
1.7770250955927085

> <JCHEM_POLAR_SURFACE_AREA>
235.77999999999994

> <JCHEM_REFRACTIVITY>
297.93119999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
42

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-[(2R,3R,4S,5R)-5-[({[(2S)-2,3-bis({[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy})propyl phosphono]oxy(hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-iminopyrimidin-2-olate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JUN-22         0                                  
HETATM    1  C   UNK     0      16.775 -22.844   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.109 -20.534   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      63.454 -22.074   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      62.120 -24.384   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      23.444 -20.534   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      56.786 -24.384   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.778 -20.534   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      51.451 -24.384   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      34.113 -20.534   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      46.116 -24.384   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.776 -22.074   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      59.453 -22.844   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      26.111 -22.074   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      54.118 -22.844   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.446 -22.074   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      48.784 -22.844   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.443 -22.844   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      60.787 -22.074   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.110 -22.844   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      58.119 -22.074   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      24.777 -22.844   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      55.452 -22.074   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      27.445 -22.844   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      52.785 -22.074   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      30.112 -22.844   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      50.117 -22.074   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      32.779 -22.844   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      47.450 -22.074   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      48.599 -29.897   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      35.447 -22.844   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      44.783 -22.074   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      47.068 -30.058   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      36.781 -22.074   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      43.449 -22.844   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      39.448 -22.074   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      40.782 -24.384   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      41.139 -30.338   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      18.109 -22.074   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      62.120 -22.844   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      23.444 -22.074   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      56.786 -22.844   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      28.778 -22.074   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      51.451 -22.844   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      34.113 -22.074   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      46.116 -22.844   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      40.782 -22.844   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      42.473 -31.108   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      49.505 -31.143   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      42.634 -32.639   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      44.140 -32.959   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      44.910 -31.626   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      47.347 -32.711   0.000  0.00  0.00           C+0
HETATM   53  N   UNK     0      51.036 -30.982   0.000  0.00  0.00           N+0
HETATM   54  N   UNK     0      48.878 -32.550   0.000  0.00  0.00           N+0
HETATM   55  N   UNK     0      46.441 -31.465   0.000  0.00  0.00           N+0
HETATM   56  O   UNK     0      41.489 -33.670   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      44.766 -34.366   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      46.720 -34.117   0.000  0.00  0.00           O-1
HETATM   59  O   UNK     0      42.115 -28.234   0.000  0.00  0.00           O-1
HETATM   60  O   UNK     0      43.655 -26.694   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      38.472 -27.258   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      39.035 -29.361   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      38.114 -22.844   0.000  0.00  0.00           O+0
HETATM   64  O   UNK     0      42.115 -22.074   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0      42.115 -25.154   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      41.139 -28.798   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0      43.879 -30.481   0.000  0.00  0.00           O+0
HETATM   68  O   UNK     0      40.575 -26.694   0.000  0.00  0.00           O+0
HETATM   69  P   UNK     0      42.115 -26.694   0.000  0.00  0.00           P+0
HETATM   70  P   UNK     0      39.805 -28.028   0.000  0.00  0.00           P+0
HETATM   71  H   UNK     0      22.110 -21.304   0.000  0.00  0.00           H+0
HETATM   72  H   UNK     0      58.119 -23.614   0.000  0.00  0.00           H+0
HETATM   73  H   UNK     0      27.445 -21.304   0.000  0.00  0.00           H+0
HETATM   74  H   UNK     0      52.785 -23.614   0.000  0.00  0.00           H+0
HETATM   75  H   UNK     0      32.779 -21.304   0.000  0.00  0.00           H+0
HETATM   76  H   UNK     0      47.450 -23.614   0.000  0.00  0.00           H+0
HETATM   77  H   UNK     0      39.448 -23.614   0.000  0.00  0.00           H+0
HETATM   78  H   UNK     0      41.181 -31.946   0.000  0.00  0.00           H+0
HETATM   79  H   UNK     0      43.032 -34.127   0.000  0.00  0.00           H+0
HETATM   80  H   UNK     0      45.678 -33.040   0.000  0.00  0.00           H+0
HETATM   81  H   UNK     0      45.462 -30.188   0.000  0.00  0.00           H+0
CONECT    1   38                                                            
CONECT    2   38                                                            
CONECT    3   39                                                            
CONECT    4   39                                                            
CONECT    5   40                                                            
CONECT    6   41                                                            
CONECT    7   42                                                            
CONECT    8   43                                                            
CONECT    9   44                                                            
CONECT   10   45                                                            
CONECT   11   17   19                                                       
CONECT   12   18   20                                                       
CONECT   13   21   23                                                       
CONECT   14   22   24                                                       
CONECT   15   25   27                                                       
CONECT   16   26   28                                                       
CONECT   17   11   38                                                       
CONECT   18   12   39                                                       
CONECT   19   11   40                                                       
CONECT   20   12   41                                                       
CONECT   21   13   40                                                       
CONECT   22   14   41                                                       
CONECT   23   13   42                                                       
CONECT   24   14   43                                                       
CONECT   25   15   42                                                       
CONECT   26   16   43                                                       
CONECT   27   15   44                                                       
CONECT   28   16   45                                                       
CONECT   29   32   48                                                       
CONECT   30   33   44                                                       
CONECT   31   34   45                                                       
CONECT   32   29   55                                                       
CONECT   33   30   63                                                       
CONECT   34   31   64                                                       
CONECT   35   46   63                                                       
CONECT   36   46   65                                                       
CONECT   37   47   66                                                       
CONECT   38    1    2   17                                                  
CONECT   39    3    4   18                                                  
CONECT   40    5   19   21   71                                             
CONECT   41    6   20   22   72                                             
CONECT   42    7   23   25   73                                             
CONECT   43    8   24   26   74                                             
CONECT   44    9   27   30   75                                             
CONECT   45   10   28   31   76                                             
CONECT   46   35   36   64   77                                             
CONECT   47   37   49   67   78                                             
CONECT   48   29   53   54                                                  
CONECT   49   47   50   56   79                                             
CONECT   50   49   51   57   80                                             
CONECT   51   50   55   67   81                                             
CONECT   52   54   55   58                                                  
CONECT   53   48                                                            
CONECT   54   48   52                                                       
CONECT   55   32   51   52                                                  
CONECT   56   49                                                            
CONECT   57   50                                                            
CONECT   58   52                                                            
CONECT   59   69                                                            
CONECT   60   69                                                            
CONECT   61   70                                                            
CONECT   62   70                                                            
CONECT   63   33   35                                                       
CONECT   64   34   46                                                       
CONECT   65   36   69                                                       
CONECT   66   37   70                                                       
CONECT   67   47   51                                                       
CONECT   68   69   70                                                       
CONECT   69   59   60   65   68                                             
CONECT   70   61   62   66   68                                             
CONECT   71   40                                                            
CONECT   72   41                                                            
CONECT   73   42                                                            
CONECT   74   43                                                            
CONECT   75   44                                                            
CONECT   76   45                                                            
CONECT   77   46                                                            
CONECT   78   47                                                            
CONECT   79   49                                                            
CONECT   80   50                                                            
CONECT   81   51                                                            
MASTER        0    0    0    0    0    0    0    0   81    0  164    0
END

Synonyms

Value	Source
CDP-2,3-Bis-O-(phytanyl)-sn-glycerol	ChEBI
CDP-Archaeol(2-)	ChEBI

Molecular Formula

C₅₂H₉₉N₃O₁₃P₂

Average Mass

1036.321

Monoisotopic Mass

1035.666411416

IUPAC Name

1-[(2R,3R,4S,5R)-5-{[({[(2S)-2,3-bis({[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy})propyl phosphono]oxy}(hydroxy)phosphoryl)oxy]methyl}-3,4-dihydroxyoxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-olate

Traditional Name

1-[(2R,3R,4S,5R)-5-[({[(2S)-2,3-bis({[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy})propyl phosphono]oxy(hydroxy)phosphoryl}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-4-iminopyrimidin-2-olate

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(CCCC(C)C)CCC[C@@]([H])(C)CCC[C@@]([H])(C)CCOC[C@@]([H])(COP([O-])(=O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=CC(=N)N=C2[O-])[C@]([H])(O)[C@]1([H])O)OCC[C@]([H])(C)CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C

InChI Identifier

InChI=1S/C52H101N3O13P2/c1-38(2)17-11-19-40(5)21-13-23-42(7)25-15-27-44(9)30-33-63-35-46(64-34-31-45(10)28-16-26-43(8)24-14-22-41(6)20-12-18-39(3)4)36-65-69(59,60)68-70(61,62)66-37-47-49(56)50(57)51(67-47)55-32-29-48(53)54-52(55)58/h29,32,38-47,49-51,56-57H,11-28,30-31,33-37H2,1-10H3,(H,59,60)(H,61,62)(H2,53,54,58)/p-2/t40-,41-,42-,43-,44-,45-,46+,47-,49-,50-,51-/m1/s1

InChI Key

JXITWCJAPKTFER-DDEUYAGPSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cdp-glycerols. These are glycerolipids with a cytidine diphosphate attached to the oxygen O1 or O2 of the glycerol part. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

CDP-glycerols

Direct Parent

CDP-glycerols

Alternative Parents

Substituents

Cdp-glycerol
Pyrimidine ribonucleoside diphosphate
Diterpenoid
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Aminopyrimidine
Pyrimidone
Glycerol ether
Monosaccharide
Organic phosphoric acid derivative
Hydropyrimidine
Imidolactam
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
1,2-diol
Secondary alcohol
Ether
Organoheterocyclic compound
Oxacycle
Dialkyl ether
Azacycle
Primary amine
Amine
Alcohol
Organic oxide
Organopnictogen compound
Organonitrogen compound
Organic oxygen compound
Organooxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

organophosphate oxoanion (CHEBI:74004 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	12.69	ChemAxon
pKa (Strongest Acidic)	2.55	ChemAxon
pKa (Strongest Basic)	1.78	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	235.78 Å²	ChemAxon
Rotatable Bond Count	42	ChemAxon
Refractivity	297.93 m³·mol⁻¹	ChemAxon
Polarizability	119 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species
Archaea/Archaea	Crenarchaeota	1
Archaea/Archaea	Euryarchaeota	2
Archaea	Crenarchaeota	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

29368137

KEGG Compound ID

Not Available

BioCyc ID

CPD-15253

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

71581091

PDB ID

Not Available

ChEBI ID

74004

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for CDP-2,3-bis-O-(phytanyl)-sn-glycerol (MMDBc0055791)

MOL for #<Metabolite:0x00007fadbf2e6ed0>

3D MOL for #<Metabolite:0x00007fadbf2e6ed0>

3D SDF for #<Metabolite:0x00007fadbf2e6ed0>

3D-SDF for #<Metabolite:0x00007fadbf2e6ed0>

PDB for #<Metabolite:0x00007fadbf2e6ed0>

3D PDB for #<Metabolite:0x00007fadbf2e6ed0>

SMILES for #<Metabolite:0x00007fadbf2e6ed0>

INCHI for #<Metabolite:0x00007fadbf2e6ed0>

Structure for #<Metabolite:0x00007fadbf2e6ed0>

3D Structure for #<Metabolite:0x00007fadbf2e6ed0>