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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-10-30 10:32:48 UTC
Update Date2022-03-07 03:17:34 UTC
HMDB IDHMDB0059660
Secondary Accession Numbers
  • HMDB59660
Metabolite Identification
Common Namesn-glycero-3-Phosphoethanolamine
Descriptionsn-glycero-3-Phosphoethanolamine belongs to the class of organic compounds known as glycerophosphoethanolamines. These are glycerolipids characterized by an ethanolamine ester of glycerophosphoric acid. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms. sn-glycero-3-Phosphoethanolamine is a very strong basic compound (based on its pKa).
Structure
Data?1563865961
Synonyms
ValueSource
GlycerophosphoethanolamineChEBI
GlycerylphosphorylethanolamineHMDB
GlycerophosphorylethanolamineHMDB
sn-Glycerol-3-phosphoethanolamineHMDB
Chemical FormulaC5H14NO6P
Average Molecular Weight215.1415
Monoisotopic Molecular Weight215.055873697
IUPAC Name(2-aminoethoxy)[(2S)-2,3-dihydroxypropoxy]phosphinic acid
Traditional Name2-aminoethoxy(2S)-2,3-dihydroxypropoxyphosphinic acid
CAS Registry NumberNot Available
SMILES
NCCO[P@@](O)(=O)OC[C@@H](O)CO
InChI Identifier
InChI=1S/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)/t5-/m0/s1
InChI KeyJZNWSCPGTDBMEW-YFKPBYRVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glycerophosphoethanolamines. These are glycerolipids characterized by an ethanolamine ester of glycerophosphoric acid. As is the case with diacylglycerols, glycerophosphoethanolamines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoethanolamines
Direct ParentGlycerophosphoethanolamines
Alternative Parents
Substituents
  • Sn-glycero-3-phosphoethanolamine
  • Phosphoethanolamine
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Secondary alcohol
  • 1,2-diol
  • Primary amine
  • Primary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Amine
  • Organopnictogen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg138.95530932474
Predicted Molecular Properties
PropertyValueSource
Water Solubility36.5 g/LALOGPS
logP-2.3ALOGPS
logP-3.4ChemAxon
logS-0.77ALOGPS
pKa (Strongest Acidic)1.87ChemAxon
pKa (Strongest Basic)10ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area122.24 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity43.82 m³·mol⁻¹ChemAxon
Polarizability18.88 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
DarkChem[M+H]+149.08831661259
DarkChem[M-H]-145.30931661259
DeepCCS[M+H]+141.4930932474
DeepCCS[M-H]-139.09430932474
DeepCCS[M-2H]-172.64330932474
DeepCCS[M+Na]+147.48630932474
AllCCS[M+H]+146.032859911
AllCCS[M+H-H2O]+142.532859911
AllCCS[M+NH4]+149.232859911
AllCCS[M+Na]+150.132859911
AllCCS[M-H]-142.432859911
AllCCS[M+Na-2H]-143.832859911
AllCCS[M+HCOO]-145.532859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
sn-glycero-3-Phosphoethanolamine,1TMS,isomer #1C[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN1918.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TMS,isomer #2C[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN1911.9Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TMS,isomer #3C[Si](C)(C)O[P@@](=O)(OCCN)OC[C@@H](O)CO1927.6Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TMS,isomer #4C[Si](C)(C)NCCO[P@](=O)(O)OC[C@@H](O)CO2011.7Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN)O[Si](C)(C)C1964.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #2C[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN)O[Si](C)(C)C1950.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #3C[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO)O[Si](C)(C)C2009.7Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #4C[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN)O[Si](C)(C)C1961.2Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #5C[Si](C)(C)NCCO[P@](=O)(O)OC[C@@H](O)CO[Si](C)(C)C2015.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #6C[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO)O[Si](C)(C)C2036.6Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TMS,isomer #7C[Si](C)(C)N(CCO[P@](=O)(O)OC[C@@H](O)CO)[Si](C)(C)C2172.8Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C1982.2Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C1943.9Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C2691.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #2C[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C2027.3Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #2C[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C2090.7Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #2C[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C2774.0Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #3C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C)O[Si](C)(C)C2050.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #3C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C)O[Si](C)(C)C2106.9Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #3C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C)O[Si](C)(C)C2411.9Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #4C[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2167.9Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #4C[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2167.8Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #4C[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2858.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #5C[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C2055.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #5C[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C2087.2Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #5C[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C)O[Si](C)(C)C2380.9Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2175.4Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2180.4Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C2822.3Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #7C[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OC[C@@H](O)CO2195.8Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #7C[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OC[C@@H](O)CO2152.5Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TMS,isomer #7C[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)OC[C@@H](O)CO2532.5Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #1C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2059.4Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #1C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2120.8Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #1C[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2237.5Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2197.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2202.4Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #2C[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2589.5Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #3C[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2215.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #3C[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2216.7Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #3C[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2331.4Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #4C[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2221.2Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #4C[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2203.2Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TMS,isomer #4C[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2308.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2235.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2216.2Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C2209.4Standard polar33892256
sn-glycero-3-Phosphoethanolamine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN2140.4Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN2141.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[P@@](=O)(OCCN)OC[C@@H](O)CO2164.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@@H](O)CO2230.4Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN)O[Si](C)(C)C(C)(C)C2373.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN)O[Si](C)(C)C(C)(C)C2364.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO)O[Si](C)(C)C(C)(C)C2449.6Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN)O[Si](C)(C)C(C)(C)C2366.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C2442.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO)O[Si](C)(C)C(C)(C)C2483.5Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCO[P@](=O)(O)OC[C@@H](O)CO)[Si](C)(C)C(C)(C)C2581.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2595.4Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2456.3Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2812.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2673.8Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2649.4Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCO[P@](=O)(O)OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2948.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2679.2Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2623.3Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2673.0Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2837.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2730.9Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2975.4Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2678.8Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2631.0Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@@H](O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2668.4Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2836.9Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2746.1Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2970.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@@H](O)CO2836.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@@H](O)CO2705.4Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[P@@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC[C@@H](O)CO2747.6Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2912.1Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2753.1Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCO[P@@](=O)(OC[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2630.5Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3094.3Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2893.6Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@@](=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2846.1Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3065.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2854.2Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H](CO)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2655.4Standard polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3070.0Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2855.1Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2655.2Standard polar33892256
sn-glycero-3-Phosphoethanolamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3319.3Semi standard non polar33892256
sn-glycero-3-Phosphoethanolamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2978.8Standard non polar33892256
sn-glycero-3-Phosphoethanolamine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](CO[P@](=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2664.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gwf-5900000000-55796a83071cae1bff8b2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (2 TMS) - 70eV, Positivesplash10-0f7o-9743000000-64790d207e25fb9a505f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_2_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (TBDMS_2_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - sn-glycero-3-Phosphoethanolamine GC-MS ("sn-glycero-3-Phosphoethanolamine,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 10V, Positive-QTOFsplash10-0006-9110000000-babdc4932d4df79544122017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 20V, Positive-QTOFsplash10-0006-9100000000-e78309daae6335fa2b3a2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 40V, Positive-QTOFsplash10-052f-9000000000-5ae22b069a89fe3c03ed2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 10V, Negative-QTOFsplash10-03di-2950000000-0c1eef5e8d1f8897338e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 20V, Negative-QTOFsplash10-004l-9700000000-326dd2f35180a132c9d12017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 40V, Negative-QTOFsplash10-004i-9000000000-cce3f3a560423fe7ab732017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 10V, Negative-QTOFsplash10-0h00-9460000000-32cd47677e60fcdcf1012021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 20V, Negative-QTOFsplash10-004i-9300000000-30cffc727549756341602021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 40V, Negative-QTOFsplash10-004i-9000000000-ca30e71e114ea66730882021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 10V, Positive-QTOFsplash10-0006-9710000000-e0cffde8c86999d55b582021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 20V, Positive-QTOFsplash10-0007-9100000000-3885584fdb3534a0f84e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - sn-glycero-3-Phosphoethanolamine 40V, Positive-QTOFsplash10-0006-9000000000-36cf29cb44eeb3400dfa2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03484
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4573608
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5459861
PDB IDNot Available
ChEBI ID16929
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
  6. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Enzymes

General function:
Involved in hydrolase activity
Specific function:
Hydrolyzes fatty acids from S-acylated cysteine residues in proteins such as trimeric G alpha proteins or HRAS. Has depalmitoylating activity and also low lysophospholipase activity.
Gene Name:
LYPLA1
Uniprot ID:
O75608
Molecular weight:
24669.355
Reactions
1-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
General function:
Involved in hydrolase activity
Specific function:
Membrane-associated phospholipase. Exhibits a calcium-independent broad substrate specificity including phospholipase A2/lysophospholipase activity. Preferential hydrolysis at the sn-2 position of diacylphospholipids and diacyglycerol, whereas it shows no positional specificity toward triacylglycerol. Exhibits also esterase activity toward p-nitrophenyl. May act on the brush border membrane to facilitate the absorption of digested lipids (By similarity).
Gene Name:
PLB1
Uniprot ID:
Q6P1J6
Molecular weight:
161711.9
Reactions
1-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
2-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
General function:
Involved in metabolic process
Specific function:
Phospholipase B that deacylates intracellular phosphatidylcholine (PtdCho), generating glycerophosphocholine (GroPtdCho). This deacylation occurs at both sn-2 and sn-1 positions of PtdCho. Its specific chemical modification by certain organophosphorus (OP) compounds leads to distal axonopathy.
Gene Name:
PNPLA6
Uniprot ID:
Q8IY17
Molecular weight:
150952.43
Reactions
1-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
2-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
General function:
Not Available
Specific function:
Serine hydrolase, whose specific chemical modification by certain organophosphorus (OP) compounds leads to distal axonopathy (By similarity).
Gene Name:
PNPLA7
Uniprot ID:
Q6ZV29
Molecular weight:
Not Available
Reactions
1-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
2-Acyl-sn-glycero-3-phosphoethanolamine + Water → Fatty acid + sn-glycero-3-Phosphoethanolaminedetails
General function:
Not Available
Specific function:
Enzyme catalyzing the degradation of lysoplasmalogen. Lysoplasmalogens are formed by the hydrolysis of the abundant membrane glycerophospholipids plasmalogens. May control the respective levels of plasmalogens and lysoplasmalogens in cells and modulate cell membrane properties.
Gene Name:
TMEM86B
Uniprot ID:
Q8N661
Molecular weight:
24351.695
Reactions
1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine + Water → an aldehyde + sn-glycero-3-Phosphoethanolaminedetails