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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2014-04-16 20:46:01 UTC
Update Date2021-09-14 15:42:30 UTC
HMDB IDHMDB0061698
Secondary Accession Numbers
  • HMDB61698
Metabolite Identification
Common Name1-Stearoylglycerophosphoserine
Description1-Stearoylglycerophosphoserine is a phosphatidylserine. It is a glycerophospholipid in which a phosphorylserine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylserines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. PS(18:0/0:0), in particular, consists of two octadecanoyl chains at positions C-1 and C-2. Phosphatidylserine or 1,2-diacyl-sn-glycero-3-phospho-L-serine is distributed widely among animals, plants and microorganisms. Phosphatidylserine is an acidic (anionic) phospholipid with three ionizable groups, i.e. the phosphate moiety, the amino group and the carboxyl function. As with other acidic lipids, it exists in nature in salt form, but it has a high propensity to chelate to calcium via the charged oxygen atoms of both the carboxyl and phosphate moieties, modifying the conformation of the polar head group. This interaction may be of considerable relevance to the biological function of phosphatidylserine. While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. Phosphatidylserines typically carry a net charge of -1 at physiological pH. They mostly have palmitic or stearic acid on carbon 1 and a long chain unsaturated fatty acid (e.g. 18:2, 20:4 and 22:6) on carbon 2. PS biosynthesis involves an exchange reaction of serine for ethanolamine in PE.
Structure
Data?1563866221
SynonymsNot Available
Chemical FormulaC24H48NO9P
Average Molecular Weight525.62
Monoisotopic Molecular Weight525.306669128
IUPAC Name2-amino-3-({hydroxy[2-hydroxy-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid
Traditional Name2-amino-3-{[hydroxy(2-hydroxy-3-(octadecanoyloxy)propoxy)phosphoryl]oxy}propanoic acid
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O
InChI Identifier
InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)
InChI KeyZPDQFUYPBVXUKS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-acyl-glycerol-3-phosphoserines. These are monoacylglycerol-3-phosphoserines with a fatty acyl chain linked to the O1-atom of the glycerol moiety.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoserines
Direct Parent1-acyl-glycerol-3-phosphoserines
Alternative Parents
Substituents
  • 1-monoacyl-glycerol-3-phosphoserine
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Phosphoethanolamine
  • Fatty acid ester
  • Dialkyl phosphate
  • Organic phosphoric acid derivative
  • Dicarboxylic acid or derivatives
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acyl
  • Amino acid
  • Carboxylic acid ester
  • Secondary alcohol
  • Amino acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
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
Water Solubility0.0028 g/LALOGPS
logP1.65ALOGPS
logP3.5ChemAxon
logS-5.5ALOGPS
pKa (Strongest Acidic)1.51ChemAxon
pKa (Strongest Basic)9.38ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area165.61 ŲChemAxon
Rotatable Bond Count26ChemAxon
Refractivity132.44 m³·mol⁻¹ChemAxon
Polarizability59.93 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+215.97830932474
DeepCCS[M-H]-211.9630932474
DeepCCS[M-2H]-248.50130932474
DeepCCS[M+Na]+224.79330932474
AllCCS[M+H]+232.432859911
AllCCS[M+H-H2O]+231.132859911
AllCCS[M+NH4]+233.632859911
AllCCS[M+Na]+234.032859911
AllCCS[M-H]-225.732859911
AllCCS[M+Na-2H]-228.632859911
AllCCS[M+HCOO]-231.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-StearoylglycerophosphoserineCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O4064.9Standard polar33892256
1-StearoylglycerophosphoserineCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O3367.3Standard non polar33892256
1-StearoylglycerophosphoserineCCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(O)(=O)OCC(N)C(O)=O3896.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Stearoylglycerophosphoserine,1TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)O[Si](C)(C)C3915.3Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C3827.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C3862.2Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O3945.5Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3820.2Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3833.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C3944.3Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3810.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C3907.7Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C3933.5Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C4114.1Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3798.6Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3605.3Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C5284.6Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3889.5Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3692.1Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4970.6Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3909.8Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C3698.3Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C4646.0Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4092.3Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3752.4Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C5082.8Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3892.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3683.4Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C4526.4Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4054.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3718.0Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4997.7Standard polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4080.4Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3739.4Standard non polar33892256
1-Stearoylglycerophosphoserine,3TMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4665.7Standard polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3873.7Semi standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3713.5Standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4250.6Standard polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4051.8Semi standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3760.7Standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4665.0Standard polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4077.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3766.4Standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4393.5Standard polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4037.7Semi standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3741.0Standard non polar33892256
1-Stearoylglycerophosphoserine,4TMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C4319.6Standard polar33892256
1-Stearoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4056.4Semi standard non polar33892256
1-Stearoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C3770.8Standard non polar33892256
1-Stearoylglycerophosphoserine,5TMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4085.6Standard polar33892256
1-Stearoylglycerophosphoserine,1TBDMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C4159.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TBDMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C4092.5Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TBDMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C4093.3Semi standard non polar33892256
1-Stearoylglycerophosphoserine,1TBDMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O4185.7Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4320.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4323.7Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C4385.6Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4282.8Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C4361.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C4380.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,2TBDMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4564.9Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4500.3Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4002.1Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #1CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C5166.2Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4577.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4078.7Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #2CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4915.7Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4576.6Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4065.4Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #3CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4700.0Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4823.1Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4103.3Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #4CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4991.5Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4543.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4053.6Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #5CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4616.2Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4765.0Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4087.4Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #6CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4927.5Standard polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4778.8Semi standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4060.0Standard non polar33892256
1-Stearoylglycerophosphoserine,3TBDMS,isomer #7CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(OCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4711.5Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 10V, Positive-QTOFsplash10-000l-9021120000-b64eedfad30e689533fe2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 20V, Positive-QTOFsplash10-000f-9010100000-e315f6d721351597a7782019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 40V, Positive-QTOFsplash10-000f-9120000000-53159eaf35773833aa882019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 10V, Negative-QTOFsplash10-01c0-2190230000-f4968c306ae2bb4ac5ad2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 20V, Negative-QTOFsplash10-00o0-5390100000-a6d1772dc6ca54748fa52019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 40V, Negative-QTOFsplash10-004i-9010000000-8ef8fad2f4199a8af6272019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 10V, Negative-QTOFsplash10-0udr-0900720000-3c0a8da0084cd122f01e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 20V, Negative-QTOFsplash10-001i-2590220000-0e8cbf82691e557af0472021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 40V, Negative-QTOFsplash10-003r-6090000000-1a10fdf9cd1f0fb3d8c82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 10V, Positive-QTOFsplash10-004i-1102290000-5e4044aeaa8aa1a5eebd2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 20V, Positive-QTOFsplash10-0006-0009100000-23a205436d251a732a972021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Stearoylglycerophosphoserine 40V, Positive-QTOFsplash10-0a4l-9401000000-f8f4c64ae3f963da3d352021-09-22Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74819135
PDB IDNot Available
ChEBI IDNot Available
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.