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Showing metabocard for Glycerophosphoric acid (HMDB0252849)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:56:36 UTC
Update Date2021-09-26 23:05:43 UTC
HMDB IDHMDB0252849
Secondary Accession NumbersNone
Metabolite Identification
Common NameGlycerophosphoric acid
DescriptionGlycerol 1-monophosphate, also known as 1-glycerophosphoric acid or alpha-phosphoglycerol, belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group. Based on a literature review a small amount of articles have been published on Glycerol 1-monophosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycerophosphoric acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycerophosphoric acid 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0252849 (Glycerophosphoric acid)


  Mrv1652305221920472D          

 10  9  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
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3D MOL for HMDB0252849 (Glycerophosphoric acid)

HMDB0252849
     RDKit          3D
Glycerophosphoric acid
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.1023    1.2546   -0.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -0.0443   -0.3691 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.5996   -0.3073    1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -1.2939   -1.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    0.0818   -0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    0.6426    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.7366   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711    1.3154    0.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -0.5946   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -1.4231    0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -1.2389    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9195   -1.6660   -0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126    0.0142    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    1.6652    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707    1.3470   -1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    2.2628    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638   -1.1350   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.4047   -0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6734   -1.2123    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  3 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
 10 19  1  0
M  END
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3D SDF for HMDB0252849 (Glycerophosphoric acid)


  Mrv1652305221920472D          

 10  9  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252849

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)

> <INCHI_KEY>
AWUCVROLDVIAJX-UHFFFAOYSA-N

> <FORMULA>
C3H9O6P

> <MOLECULAR_WEIGHT>
172.0737

> <EXACT_MASS>
172.013674532

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
13.450137666564107

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2,3-dihydroxypropoxy)phosphonic acid

> <ALOGPS_LOGP>
-1.84

> <JCHEM_LOGP>
-1.9625800539999998

> <ALOGPS_LOGS>
-0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.533552281214722

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5077547010974532

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968964717967575

> <JCHEM_POLAR_SURFACE_AREA>
107.22000000000001

> <JCHEM_REFRACTIVITY>
31.389

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.06e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-glycerophosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252849 (Glycerophosphoric acid)

HMDB0252849
     RDKit          3D
Glycerophosphoric acid
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.1023    1.2546   -0.7232 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -0.0443   -0.3691 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.5996   -0.3073    1.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -1.2939   -1.1957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7887    0.0818   -0.8195 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0239    0.6426    0.1646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4542    0.7366   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711    1.3154    0.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0852   -0.5946   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0133   -1.4231    0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3797   -1.2389    1.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9195   -1.6660   -0.6634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0126    0.0142    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649    1.6652    0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5707    1.3470   -1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8864    2.2628    0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638   -1.1350   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.4047   -0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6734   -1.2123    1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  3 11  1  0
  4 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
 10 19  1  0
M  END
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PDB for HMDB0252849 (Glycerophosphoric acid)

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0       4.620  -2.667   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.850  -1.334   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       6.160  -2.667   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       4.620  -0.000   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -1.540   0.000   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000  -1.540   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.540   0.000   0.000  0.00  0.00           O+0
HETATM   10  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
CONECT    1    3    4                                                       
CONECT    2    3    9                                                       
CONECT    3    1    2    5                                                  
CONECT    4    1                                                            
CONECT    5    3                                                            
CONECT    6   10                                                            
CONECT    7   10                                                            
CONECT    8   10                                                            
CONECT    9    2   10                                                       
CONECT   10    6    7    8    9                                             
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for HMDB0252849 (Glycerophosphoric acid)

COMPND    HMDB0253890
HETATM    1  O1  UNL     1      -2.235  -0.394   1.688  1.00  0.00           O  
HETATM    2  P1  UNL     1      -2.260   0.187   0.281  1.00  0.00           P  
HETATM    3  O2  UNL     1      -3.250  -0.791  -0.660  1.00  0.00           O  
HETATM    4  O3  UNL     1      -2.808   1.798   0.321  1.00  0.00           O  
HETATM    5  O4  UNL     1      -0.683   0.244  -0.315  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.103  -0.752   0.213  1.00  0.00           C  
HETATM    7  C2  UNL     1       1.540  -0.580  -0.175  1.00  0.00           C  
HETATM    8  O5  UNL     1       2.247  -1.614   0.462  1.00  0.00           O  
HETATM    9  C3  UNL     1       2.139   0.722   0.268  1.00  0.00           C  
HETATM   10  O6  UNL     1       2.010   1.741  -0.665  1.00  0.00           O  
HETATM   11  H1  UNL     1      -4.189  -0.510  -0.642  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.027   2.389   0.508  1.00  0.00           H  
HETATM   13  H3  UNL     1      -0.235  -1.718  -0.238  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.047  -0.863   1.305  1.00  0.00           H  
HETATM   15  H5  UNL     1       1.645  -0.700  -1.283  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.848  -2.497   0.236  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.754   0.987   1.268  1.00  0.00           H  
HETATM   18  H8  UNL     1       3.239   0.549   0.383  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.116   1.800  -1.071  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   11
CONECT    4   12
CONECT    5    6
CONECT    6    7   13   14
CONECT    7    8    9   15
CONECT    8   16
CONECT    9   10   17   18
CONECT   10   19
END
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SMILES for HMDB0252849 (Glycerophosphoric acid)

OCC(O)COP(O)(O)=O
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INCHI for HMDB0252849 (Glycerophosphoric acid)

InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1,2,3-Propanetriol, 1-(dihydrogen phosphate)ChEBI
1-GlycerophosphateChEBI
1-Glycerophosphoric acidChEBI
1-PhosphoglycerolChEBI
2,3-Dihydroxypropyl dihydrogen phosphateChEBI
2,3-Hydroxy-1-propyl dihydrogen phosphateChEBI
3-GlycerophosphateChEBI
alpha-Glycerophosphoric acidChEBI
alpha-PhosphoglycerolChEBI
D,L-alpha-Glycerol-phosphateChEBI
DL-Glycerol 1-phosphateChEBI
DL-Glycerol 3-phosphateChEBI
DL-Glyceryl 1-phosphateChEBI
Glycerol alpha-phosphateChEBI
PGChEBI
rac-Glycerol 1-phosphateChEBI
Glycerol 1-phosphateKegg
Glycerol-3-phosphateKegg
1,2,3-Propanetriol, 1-(dihydrogen phosphoric acid)Generator
2,3-Dihydroxypropyl dihydrogen phosphoric acidGenerator
2,3-Hydroxy-1-propyl dihydrogen phosphoric acidGenerator
3-Glycerophosphoric acidGenerator
a-GlycerophosphateGenerator
a-Glycerophosphoric acidGenerator
alpha-GlycerophosphateGenerator
Α-glycerophosphateGenerator
Α-glycerophosphoric acidGenerator
a-PhosphoglycerolGenerator
Α-phosphoglycerolGenerator
D,L-a-Glycerol-phosphateGenerator
D,L-a-Glycerol-phosphoric acidGenerator
D,L-alpha-Glycerol-phosphoric acidGenerator
D,L-Α-glycerol-phosphateGenerator
D,L-Α-glycerol-phosphoric acidGenerator
DL-Glycerol 1-phosphoric acidGenerator
DL-Glycerol 3-phosphoric acidGenerator
DL-Glyceryl 1-phosphoric acidGenerator
Glycerol a-phosphateGenerator
Glycerol a-phosphoric acidGenerator
Glycerol alpha-phosphoric acidGenerator
Glycerol α-phosphateGenerator
Glycerol α-phosphoric acidGenerator
rac-Glycerol 1-phosphoric acidGenerator
Glycerol 1-phosphoric acidGenerator
Glycerol-3-phosphoric acidGenerator
Glycerol 1-monophosphoric acidGenerator
alpha-Glycerophosphoric acid, 1,2,3-propanetriol-1-(18)O,3-(dihydrogen phosphate)-labeledMeSH
alpha-Glycerophosphoric acid, fe(+3) salt (3:2)MeSH
alpha-Glycerophosphoric acid, disodium saltMeSH
Disodium glycerophosphateMeSH
Glycerol 3-phosphateMeSH
alpha-Glycerophosphoric acid, fe saltMeSH
alpha-Glycerophosphoric acid, monocalcium salt (S)-isomerMeSH
alpha-Glycerophosphoric acid, monomagnesium saltMeSH
alpha-Glycerophosphoric acid, sodium saltMeSH
alpha-Glycerophosphoric acid, (R)-isomerMeSH
alpha-Glycerophosphoric acid, (S)-isomerMeSH
alpha-Glycerophosphoric acid, disodium salt hexahydrate(+-)-isomerMeSH
alpha-Glycerophosphoric acid, monocalcium saltMeSH
Sodium glycerophosphateMeSH
alpha-Glycerophosphoric acid, (DL)-isomerMeSH
alpha-Glycerophosphoric acid, 1,2,3-propanetriol-2-(18)O,3-(dihydrogen phosphate)-labeledMeSH
alpha-Glycerophosphoric acid, calcium saltMeSH
alpha-Glycerophosphoric acid, disodium salt (+-)-isomerMeSH
Chemical FormulaC3H9O6P
Average Molecular Weight172.0737
Monoisotopic Molecular Weight172.013674532
IUPAC Name(2,3-dihydroxypropoxy)phosphonic acid
Traditional Nameα-glycerophosphate
CAS Registry NumberNot Available
SMILES
OCC(O)COP(O)(O)=O
InChI Identifier
InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChI KeyAWUCVROLDVIAJX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycerophosphates. Glycerophosphates are compounds containing a glycerol linked to a phosphate group.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphates
Direct ParentGlycerophosphates
Alternative Parents
Substituents
  • Sn-glycerol-3-phosphate
  • Monoalkyl phosphate
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Secondary alcohol
  • 1,2-diol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-1.8ALOGPS
logP-2ChemAxon
logS-0.75ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity31.39 m³·mol⁻¹ChemAxon
Polarizability13.45 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+126.12130932474
DeepCCS[M-H]-123.2630932474
DeepCCS[M-2H]-160.07330932474
DeepCCS[M+Na]+134.77730932474
AllCCS[M+H]+138.432859911
AllCCS[M+H-H2O]+134.532859911
AllCCS[M+NH4]+142.032859911
AllCCS[M+Na]+143.032859911
AllCCS[M-H]-130.332859911
AllCCS[M+Na-2H]-132.632859911
AllCCS[M+HCOO]-135.232859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycerophosphoric acid,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OCC(O)CO1667.5Semi standard non polar33892256
Glycerophosphoric acid,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OCC(O)CO1536.4Standard non polar33892256
Glycerophosphoric acid,1TMS,isomer #3C[Si](C)(C)OP(=O)(O)OCC(O)CO2527.5Standard polar33892256
Glycerophosphoric acid,2TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C1717.7Semi standard non polar33892256
Glycerophosphoric acid,2TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C1648.5Standard non polar33892256
Glycerophosphoric acid,2TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O)O[Si](C)(C)C2158.1Standard polar33892256
Glycerophosphoric acid,2TMS,isomer #4C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C1698.7Semi standard non polar33892256
Glycerophosphoric acid,2TMS,isomer #4C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C1647.7Standard non polar33892256
Glycerophosphoric acid,2TMS,isomer #4C[Si](C)(C)OP(=O)(OCC(O)CO)O[Si](C)(C)C1994.5Standard polar33892256
Glycerophosphoric acid,3TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C1747.8Semi standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C1698.7Standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C1997.3Standard polar33892256
Glycerophosphoric acid,3TMS,isomer #2C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1733.4Semi standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #2C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1736.4Standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #2C[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1820.6Standard polar33892256
Glycerophosphoric acid,3TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1732.6Semi standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1718.1Standard non polar33892256
Glycerophosphoric acid,3TMS,isomer #3C[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1856.3Standard polar33892256
Glycerophosphoric acid,4TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1759.9Semi standard non polar33892256
Glycerophosphoric acid,4TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1751.1Standard non polar33892256
Glycerophosphoric acid,4TMS,isomer #1C[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1786.7Standard polar33892256
Glycerophosphoric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2357.7Semi standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2314.5Standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2310.5Standard polar33892256
Glycerophosphoric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2353.8Semi standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2312.9Standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2177.7Standard polar33892256
Glycerophosphoric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2336.3Semi standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2269.4Standard non polar33892256
Glycerophosphoric acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CO)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2194.5Standard polar33892256
Glycerophosphoric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2576.6Semi standard non polar33892256
Glycerophosphoric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2440.2Standard non polar33892256
Glycerophosphoric acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2225.7Standard polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB021800
KNApSAcK IDNot Available
Chemspider ID734
KEGG Compound IDC03189
BioCyc IDGlycerol-1-phosphate
BiGG IDNot Available
Wikipedia LinkGlycerol_1-phosphate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID14336
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]