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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2014-04-16 20:45:44 UTC
Update Date2021-09-14 15:42:32 UTC
HMDB IDHMDB0061693
Secondary Accession Numbers
  • HMDB61693
Metabolite Identification
Common NameLysoPI(18:1(9Z)/0:0)
DescriptionLysoPI(18:1(9Z)/0:0) is a lysophosphatidylinositol. The term 'lysophospholipid' (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position. The prefix 'lyso-' comes from the fact that lysophospholipids were originally found to be hemolytic. However, it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Lysophosphatidylinositols can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. LysoPI(18:1(9Z)/0:0), in particular, consists of one chain of oleic acid at the C-1 position.
Structure
Data?1573235251
Synonyms
ValueSource
1-(9Z)-Octadecenoyl-sn-glycero-3-phospho-D-myo-inositolChEBI
1-(9Z-Octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)ChEBI
PI(18:1(9Z)/0:0)ChEBI
PI(18:1/0:0)ChEBI
1-OleoylglycerophosphoinositolChEBI
1-Oleoyl-GPIHMDB
1-Oleoyl-glycero-3-phospho-(1'-myo-inositol)HMDB
1-Oleoyl-glycero-3-phospho-(1’-myo-inositol)HMDB
1-Oleoyl-lysophosphatidylinositolHMDB
GPI(18:1(9Z))HMDB
GPI(18:1(9Z)/0:0)HMDB
GPI(18:1)HMDB
GPI(18:1n9)HMDB
GPI(18:1n9/0:0)HMDB
GPI(18:1w9)HMDB
GPI(18:1w9/0:0)HMDB
LPI(18:1(9Z))HMDB
LPI(18:1(9Z)/0:0)HMDB
LPI(18:1)HMDB
LPI(18:1n9)HMDB
LPI(18:1n9/0:0)HMDB
LPI(18:1w9)HMDB
LPI(18:1w9/0:0)HMDB
LysoPI(18:1(9Z))HMDB
LysoPI(18:1(9Z)/0:0)HMDB
LysoPI(18:1)HMDB
LysoPI(18:1n9)HMDB
LysoPI(18:1n9/0:0)HMDB
LysoPI(18:1w9)HMDB
LysoPI(18:1w9/0:0)HMDB
Lysophosphatidylinositol(18:1(9Z))HMDB
Lysophosphatidylinositol(18:1(9Z)/0:0)HMDB
Lysophosphatidylinositol(18:1)HMDB
Lysophosphatidylinositol(18:1n9)HMDB
Lysophosphatidylinositol(18:1n9/0:0)HMDB
Lysophosphatidylinositol(18:1w9)HMDB
Lysophosphatidylinositol(18:1w9/0:0)HMDB
1-Oleoyl-sn-glycero-3-phospho-D-myo-inositolHMDB
Chemical FormulaC27H51O12P
Average Molecular Weight598.6604
Monoisotopic Molecular Weight598.311813608
IUPAC Name[(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy]({[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid
Traditional Name(2R)-2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy([(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid
CAS Registry Number1114770-15-8
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C27H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h9-10,20,22-28,30-34H,2-8,11-19H2,1H3,(H,35,36)/b10-9-/t20-,22-,23-,24+,25-,26-,27-/m1/s1
InChI KeyUGDOFRYHDCDVHD-FRWBGTIISA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerophospholipids
Sub ClassGlycerophosphoinositols
Direct Parent1-acyl-sn-glycerol-3-phosphoinositols
Alternative Parents
Substituents
  • 1-acyl-sn-glycerol-3-phosphoinositol
  • Inositol phosphate
  • Dialkyl phosphate
  • Cyclohexanol
  • Fatty acid ester
  • Cyclitol or derivatives
  • Fatty acyl
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Cyclic alcohol
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Polyol
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • Alcohol
  • Organooxygen compound
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic 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
Water Solubility0.084 g/LALOGPS
logP2.97ALOGPS
logP2.6ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)1.83ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count23ChemAxon
Refractivity147.3 m³·mol⁻¹ChemAxon
Polarizability64.83 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+248.20631661259
DarkChem[M-H]-245.05431661259
DeepCCS[M+H]+195.79130932474
DeepCCS[M-H]-193.06430932474
DeepCCS[M-2H]-227.67130932474
DeepCCS[M+Na]+202.80130932474
AllCCS[M+H]+244.332859911
AllCCS[M+H-H2O]+243.532859911
AllCCS[M+NH4]+245.132859911
AllCCS[M+Na]+245.332859911
AllCCS[M-H]-239.832859911
AllCCS[M+Na-2H]-243.632859911
AllCCS[M+HCOO]-247.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
LysoPI(18:1(9Z)/0:0)CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O4342.5Standard polar33892256
LysoPI(18:1(9Z)/0:0)CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O4087.9Standard non polar33892256
LysoPI(18:1(9Z)/0:0)CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O4482.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
LysoPI(18:1(9Z)/0:0),1TMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4361.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O4282.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O4282.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4290.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O4282.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C4282.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4356.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4233.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #10CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C4196.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #11CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4233.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #12CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4213.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #13CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O4224.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #14CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C4212.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #15CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4241.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #16CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4202.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #17CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O4213.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #18CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C4238.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #19CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4186.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4247.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #20CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4241.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #21CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4233.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C4243.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4247.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4233.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4304.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O4186.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #8CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4202.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TMS,isomer #9CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O4212.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4160.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #10CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4178.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #11CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C4189.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #12CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4212.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #13CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4160.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #14CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4209.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #15CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4190.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #16CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4138.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #17CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O4163.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #18CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C4143.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #19CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C4155.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4178.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #20CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4165.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #21CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C4173.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #22CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4181.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #23CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4143.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #24CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4190.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #25CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4156.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #26CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4173.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #27CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O4165.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #28CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4188.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #29CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4163.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4188.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #30CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4198.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #31CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4190.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #32CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4138.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #33CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4181.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #34CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C4188.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #35CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4155.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4162.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4190.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4189.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4208.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #8CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4188.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),3TMS,isomer #9CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4209.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4135.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #10CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4159.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #11CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4168.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #12CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4162.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #13CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4186.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #14CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4159.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #15CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4193.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #16CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4187.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #17CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4135.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #18CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4181.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #19CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4186.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4159.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #20CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4162.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #21CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C4128.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #22CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4121.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #23CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4135.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #24CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4122.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #25CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4157.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #26CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4137.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #27CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4128.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #28CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4157.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #29CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4164.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4138.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #30CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4137.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #31CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C4121.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #32CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4164.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #33CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C4154.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #34CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4157.1Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #35CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4135.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4162.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4160.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4168.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C4181.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #8CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C4138.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),4TMS,isomer #9CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C)O[Si](C)(C)C4187.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4548.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O4475.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O4474.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4489.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4474.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4475.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),1TBDMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4552.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #1CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4642.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #10CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4597.5Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #11CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4633.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #12CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4609.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #13CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4610.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #14CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4611.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #15CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4637.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #16CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4603.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #17CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O4609.3Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #18CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4655.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #19CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C4591.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #2CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4646.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #20CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C4637.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #21CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4633.7Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #3CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C4661.4Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #4CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C4646.0Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #5CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4642.8Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #6CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C4710.6Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #7CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O4591.9Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #8CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C4603.2Semi standard non polar33892256
LysoPI(18:1(9Z)/0:0),2TBDMS,isomer #9CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O4611.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (Non-derivatized) - 70eV, Positivesplash10-03ei-4595470000-f1a951318842d559cd232017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (1 TMS) - 70eV, Positivesplash10-0ab9-6291044000-433a058b70fb542de0032017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - LysoPI(18:1(9Z)/0:0) GC-MS (TMS_2_17) - 70eV, PositiveNot Available2021-10-16Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 10V, Positive-QTOFsplash10-015a-1588390000-03def2ce8f8f313e03aa2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 20V, Positive-QTOFsplash10-014r-2295010000-e7900d149d8c27767eb72017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 40V, Positive-QTOFsplash10-03y3-8962000000-1e7f49a05a05487be26e2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 10V, Negative-QTOFsplash10-01qa-0091040000-df4d527cdff8217f11072017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 20V, Negative-QTOFsplash10-01si-3191000000-0bfcb31380941c3099802017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 40V, Negative-QTOFsplash10-004i-9030000000-ab05549df74a20136e562017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 10V, Negative-QTOFsplash10-0002-0000090000-3f928c8b2512454564792021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 20V, Negative-QTOFsplash10-0002-0000090000-3f928c8b2512454564792021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - LysoPI(18:1(9Z)/0:0) 40V, Negative-QTOFsplash10-0fsm-0394130000-f21c91e8f198de1aea3c2021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, H2O, predicted)2022-08-18Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal 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 CompoundNot Available
PDB IDNot Available
ChEBI ID82753
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. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
  7. Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
  8. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.