MiMeDB: Showing metabocard for 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) (MMDBc0055124)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-17 19:44:03 UTC

Update Date

2022-08-12 20:09:14 UTC

Metabolite ID

MMDBc0055124

Metabolite Identification

Common Name

1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)

Description

1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-), also known as pip3[3',4',5'](16:0/16:0)(7-) or ptdins(3,4,5)p3dic16 (7-), belongs to the class of organic compounds known as 1-phosphatidyl-1d-myo-inositol-3,4,5-trisphosphates. These are lipids containing a myo-inositol-3,4,5-bisphosphate attached to the phosphate group of a glycerol-3-phosphate moiety, and two acyl chains linked to the glycerol at the O1- and O2- positions, through ester linkages. Based on a literature review very few articles have been published on 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652306172221442D          

 74 74  0  0  1  0            999 V2000
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 41 74  1  6  0  0  0
M  CHG  7  46  -1  47  -1  49  -1  50  -1  52  -1  53  -1  55  -1
M  END


  Mrv1652306172221442D          

 74 74  0  0  1  0            999 V2000
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 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 33 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 29  1  0  0  0  0
 35 30  1  0  0  0  0
 38 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 36  1  0  0  0  0
 40 37  1  0  0  0  0
 41 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 34  2  0  0  0  0
 43 35  2  0  0  0  0
 36 44  1  6  0  0  0
 37 45  1  1  0  0  0
 57 31  1  0  0  0  0
 57 34  1  0  0  0  0
 58 32  1  0  0  0  0
 33 59  1  1  0  0  0
 59 35  1  0  0  0  0
 39 60  1  6  0  0  0
 40 61  1  6  0  0  0
 41 62  1  1  0  0  0
 38 63  1  1  0  0  0
 64 46  1  0  0  0  0
 64 47  1  0  0  0  0
 64 48  2  0  0  0  0
 64 60  1  0  0  0  0
 65 49  1  0  0  0  0
 65 50  1  0  0  0  0
 65 51  2  0  0  0  0
 65 61  1  0  0  0  0
 66 52  1  0  0  0  0
 66 53  1  0  0  0  0
 66 54  2  0  0  0  0
 66 62  1  0  0  0  0
 67 55  1  0  0  0  0
 67 56  2  0  0  0  0
 67 58  1  0  0  0  0
 67 63  1  0  0  0  0
 33 68  1  1  0  0  0
 36 69  1  1  0  0  0
 37 70  1  6  0  0  0
 38 71  1  1  0  0  0
 39 72  1  1  0  0  0
 40 73  1  1  0  0  0
 41 74  1  6  0  0  0
M  CHG  7  46  -1  47  -1  49  -1  50  -1  52  -1  53  -1  55  -1
M  END
> <DATABASE_ID>
MMDBc0055124

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)O[C@]1([H])[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33-,36+,37+,38-,39+,40-,41-/m1/s1

> <INCHI_KEY>
ZSZXYWFCIKKZBT-IVYVYLGESA-G

> <FORMULA>
C41H75O22P4

> <MOLECULAR_WEIGHT>
1043.928

> <EXACT_MASS>
1043.373887106

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
142

> <JCHEM_AVERAGE_POLARIZABILITY>
106.31180609563378

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
-7

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_LOGP>
8.623357796000002

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-7

> <JCHEM_PKA>
0.8765603748764539

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.3812215552389957

> <JCHEM_PKA_STRONGEST_BASIC>
-3.689092099062057

> <JCHEM_POLAR_SURFACE_AREA>
368.91000000000014

> <JCHEM_REFRACTIVITY>
235.3346000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <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       4.414 -26.729   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      28.420 -25.189   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.414 -25.189   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      27.086 -24.419   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.747 -24.419   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.086 -22.879   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.747 -22.879   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      25.753 -22.109   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.081 -22.109   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.753 -20.569   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.081 -20.569   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      24.419 -19.799   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.415 -19.799   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      24.419 -18.259   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.415 -18.259   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      23.085 -17.489   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.748 -17.489   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      23.085 -15.949   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.748 -15.949   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      21.752 -15.179   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      11.082 -15.179   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.752 -13.639   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.082 -13.639   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      20.418 -12.869   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.416 -12.869   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.418 -11.329   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.416 -11.329   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      19.084 -10.559   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.749 -10.559   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      19.084  -9.019   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.083  -6.709   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.417  -4.399   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      16.417  -5.939   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.749  -9.019   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.750  -8.249   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      12.979  -0.398   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.289  -1.732   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.749  -1.732   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.749   0.936   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      16.059  -0.398   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      15.289   0.936   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      12.416  -8.249   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      16.417  -9.019   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      11.439  -0.398   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      16.059  -3.065   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      15.083   2.833   0.000  0.00  0.00           O-1
HETATM   47  O   UNK     0      12.416   4.373   0.000  0.00  0.00           O-1
HETATM   48  O   UNK     0      14.519   4.937   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      17.036  -2.502   0.000  0.00  0.00           O-1
HETATM   50  O   UNK     0      19.703  -0.962   0.000  0.00  0.00           O-1
HETATM   51  O   UNK     0      19.139  -3.065   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      17.599   0.730   0.000  0.00  0.00           O-1
HETATM   53  O   UNK     0      17.599   3.810   0.000  0.00  0.00           O-1
HETATM   54  O   UNK     0      19.139   2.270   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      12.416  -5.169   0.000  0.00  0.00           O-1
HETATM   56  O   UNK     0      14.519  -5.733   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      15.083  -8.249   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      15.083  -3.629   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0      17.750  -6.709   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0      12.979   2.270   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      17.599  -0.398   0.000  0.00  0.00           O+0
HETATM   62  O   UNK     0      16.059   2.270   0.000  0.00  0.00           O+0
HETATM   63  O   UNK     0      12.979  -3.065   0.000  0.00  0.00           O+0
HETATM   64  P   UNK     0      13.749   3.603   0.000  0.00  0.00           P+0
HETATM   65  P   UNK     0      18.369  -1.732   0.000  0.00  0.00           P+0
HETATM   66  P   UNK     0      17.599   2.270   0.000  0.00  0.00           P+0
HETATM   67  P   UNK     0      13.749  -4.399   0.000  0.00  0.00           P+0
HETATM   68  H   UNK     0      15.083  -5.169   0.000  0.00  0.00           H+0
HETATM   69  H   UNK     0      12.209  -1.732   0.000  0.00  0.00           H+0
HETATM   70  H   UNK     0      14.519  -3.065   0.000  0.00  0.00           H+0
HETATM   71  H   UNK     0      14.519  -0.398   0.000  0.00  0.00           H+0
HETATM   72  H   UNK     0      14.519   2.270   0.000  0.00  0.00           H+0
HETATM   73  H   UNK     0      16.829  -1.732   0.000  0.00  0.00           H+0
HETATM   74  H   UNK     0      16.829   0.936   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    4                                                            
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4    8                                                       
CONECT    7    5    9                                                       
CONECT    8    6   10                                                       
CONECT    9    7   11                                                       
CONECT   10    8   12                                                       
CONECT   11    9   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   15                                                       
CONECT   14   12   16                                                       
CONECT   15   13   17                                                       
CONECT   16   14   18                                                       
CONECT   17   15   19                                                       
CONECT   18   16   20                                                       
CONECT   19   17   21                                                       
CONECT   20   18   22                                                       
CONECT   21   19   23                                                       
CONECT   22   20   24                                                       
CONECT   23   21   25                                                       
CONECT   24   22   26                                                       
CONECT   25   23   27                                                       
CONECT   26   24   28                                                       
CONECT   27   25   29                                                       
CONECT   28   26   30                                                       
CONECT   29   27   34                                                       
CONECT   30   28   35                                                       
CONECT   31   33   57                                                       
CONECT   32   33   58                                                       
CONECT   33   31   32   59   68                                             
CONECT   34   29   42   57                                                  
CONECT   35   30   43   59                                                  
CONECT   36   38   39   44   69                                             
CONECT   37   38   40   45   70                                             
CONECT   38   36   37   63   71                                             
CONECT   39   36   41   60   72                                             
CONECT   40   37   41   61   73                                             
CONECT   41   39   40   62   74                                             
CONECT   42   34                                                            
CONECT   43   35                                                            
CONECT   44   36                                                            
CONECT   45   37                                                            
CONECT   46   64                                                            
CONECT   47   64                                                            
CONECT   48   64                                                            
CONECT   49   65                                                            
CONECT   50   65                                                            
CONECT   51   65                                                            
CONECT   52   66                                                            
CONECT   53   66                                                            
CONECT   54   66                                                            
CONECT   55   67                                                            
CONECT   56   67                                                            
CONECT   57   31   34                                                       
CONECT   58   32   67                                                       
CONECT   59   33   35                                                       
CONECT   60   39   64                                                       
CONECT   61   40   65                                                       
CONECT   62   41   66                                                       
CONECT   63   38   67                                                       
CONECT   64   46   47   48   60                                             
CONECT   65   49   50   51   61                                             
CONECT   66   52   53   54   62                                             
CONECT   67   55   56   58   63                                             
CONECT   68   33                                                            
CONECT   69   36                                                            
CONECT   70   37                                                            
CONECT   71   38                                                            
CONECT   72   39                                                            
CONECT   73   40                                                            
CONECT   74   41                                                            
MASTER        0    0    0    0    0    0    0    0   74    0  148    0
END

Synonyms

Value	Source
1,2-Dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)	ChEBI
1,2-Dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4,5-trisphosphate)(7-)	ChEBI
PIP3[3',4',5'](16:0/16:0)(7-)	ChEBI
PtdIns(3,4,5)p3dic16 (7-)	ChEBI
1,2-Dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphoric acid)	Generator
1,2-Dipalmitoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4,5-trisphosphoric acid)(7-)	Generator
1,2-Dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphoric acid)(7-)	Generator

Molecular Formula

C₄₁H₇₅O₂₂P₄

Average Mass

1043.928

Monoisotopic Mass

1043.373887106

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)O[C@]1([H])[C@]([H])(O)[C@]([H])(OP([O-])([O-])=O)[C@@]([H])(OP([O-])([O-])=O)[C@]([H])(OP([O-])([O-])=O)[C@@]1([H])O)OC(=O)CCCCCCCCCCCCCCC

InChI Identifier

InChI=1S/C41H82O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)57-31-33(59-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-58-67(55,56)63-38-36(44)39(60-64(46,47)48)41(62-66(52,53)54)40(37(38)45)61-65(49,50)51/h33,36-41,44-45H,3-32H2,1-2H3,(H,55,56)(H2,46,47,48)(H2,49,50,51)(H2,52,53,54)/p-7/t33-,36+,37+,38-,39+,40-,41-/m1/s1

InChI Key

ZSZXYWFCIKKZBT-IVYVYLGESA-G

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-phosphatidyl-1d-myo-inositol-3,4,5-trisphosphates. These are lipids containing a myo-inositol-3,4,5-bisphosphate attached to the phosphate group of a glycerol-3-phosphate moiety, and two acyl chains linked to the glycerol at the O1- and O2- positions, through ester linkages.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositol phosphates

Direct Parent

1-phosphatidyl-1D-myo-inositol-3,4,5-trisphosphates

Alternative Parents

Substituents

1-phosphatidyl-1d-myo-inositol-3,4,5-trisphosphate
Diacylglycerophosphoinositol
Glycerophosphoinositol
Inositol phosphate
Fatty acid ester
Cyclohexanol
Dialkyl phosphate
Dicarboxylic acid or derivatives
Cyclitol or derivatives
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Fatty acyl
Cyclic alcohol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Alcohol
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic anion
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) (CHEBI:83420 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	8.62	ChemAxon
pKa (Strongest Acidic)	0.38	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-7	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	368.91 Å²	ChemAxon
Rotatable Bond Count	44	ChemAxon
Refractivity	235.33 m³·mol⁻¹	ChemAxon
Polarizability	106.31 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	2022-08-17	View Spectrum

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

Metabolic Reactions

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	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1

Exposure Sources

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

34448773

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

83420

Food Biomarker Ontology

Not Available

References

Synthesis Reference

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 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) (MMDBc0055124)

MOL for #<Metabolite:0x00007fdb4c4fed70>

3D MOL for #<Metabolite:0x00007fdb4c4fed70>

3D SDF for #<Metabolite:0x00007fdb4c4fed70>

3D-SDF for #<Metabolite:0x00007fdb4c4fed70>

PDB for #<Metabolite:0x00007fdb4c4fed70>

3D PDB for #<Metabolite:0x00007fdb4c4fed70>

SMILES for #<Metabolite:0x00007fdb4c4fed70>

INCHI for #<Metabolite:0x00007fdb4c4fed70>

Structure for #<Metabolite:0x00007fdb4c4fed70>

3D Structure for #<Metabolite:0x00007fdb4c4fed70>