Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2008-10-29 14:50:28 UTC |
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Update Date | 2022-03-07 02:51:03 UTC |
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HMDB ID | HMDB0011152 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | LysoPE(P-16:0/0:0) |
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Description | 1-(1Z-hexadecenyl)-sn-glycero-3-phosphoethanolamine is an phospho-ether lipid. Ether lipids are lipids in which one or more of the carbon atoms on glycerol is bonded to an alkyl chain via an ether linkage, as opposed to the usual ester linkage. 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. PEs are neutral zwitterions 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. PE synthesis can occur via two pathways. The first requires that ethanolamine be activated by phosphorylation and then coupled to CDP. The ethanolamine is then transferred from CDP-ethanolamine to phosphatidic acid to yield PE. The second involves the decarboxylation of PS. Plasmalogens are glycerol ether phospholipids. They are of two types, alkyl ether (-O-CH2-) and alkenyl ether (-O-CH=CH-). Dihydroxyacetone phosphate (DHAP) serves as the glycerol precursor for the synthesis of plasmalogens. Three major classes of plasmalogens have been identified: choline, ethanolamine and serine derivatives. Ethanolamine plasmalogen is prevalent in myelin. Choline plasmalogen is abundant in cardiac tissue. Usually, the highest proportion of the plasmalogen form is in the ethanolamine class with rather less in choline, and commonly little or none in other phospholipids such as phosphatidylinositol. In choline plasmalogens of most tissues, a higher proportion is often of the O-alkyl rather than the O-alkenyl form, but the reverse tends to be true in heart lipids. In animal tissues, the alkyl and alkenyl moieties in both non-polar and phospholipids tend to be rather simple in composition with 16:0, 18:0 and 18:1 (double bond in position 9) predominating. Ether analogues of triacylglycerols, i.e. 1-alkyldiacyl-sn-glycerols, are present at trace levels only if at all in most animal tissues, but they can be major components of some marine lipids. |
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Structure | [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 |
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Synonyms | Value | Source |
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1-(1Z-Hexadecenyl)-lysophosphatidylethanolamine | HMDB | 1-(1Z-Hexadecenyl)-sn-glycero-3-phosphoethanolamine | HMDB | LPE(16:1) | HMDB | LPE(p-16:0) | HMDB | LPE(p-16:0/0:0) | HMDB | Lysophosphatidylethanolamine(16:1) | HMDB | Lysophosphatidylethanolamine(p-16:0) | HMDB | Lysophosphatidylethanolamine(p-16:0/0:0) | HMDB | LysoPE(16:1) | HMDB | LysoPE(p-16:0) | HMDB | LysoPE(O-16:1(1Z)) | HMDB | LysoPE(O-16:1(1Z)/0:0) | HMDB | 1-(1Z-Hexadecenyl)-gpe | HMDB | GPE(16:1) | HMDB | GPE(O-16:1(1Z)) | HMDB | GPE(O-16:1(1Z)/0:0) | HMDB | GPE(p-16:0) | HMDB | GPE(p-16:0/0:0) | HMDB | LPE(O-16:1(1Z)) | HMDB | LPE(O-16:1(1Z)/0:0) | HMDB | Lysophosphatidylethanolamine(O-16:1(1Z)) | HMDB | Lysophosphatidylethanolamine(O-16:1(1Z)/0:0) | HMDB | 1-(1-Enyl-palmitoyl)-gpe | HMDB | LysoPE(P-16:0/0:0) | HMDB |
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Chemical Formula | C21H44NO6P |
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Average Molecular Weight | 437.5509 |
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Monoisotopic Molecular Weight | 437.290624657 |
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IUPAC Name | (2-aminoethoxy)[(2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy]phosphinic acid |
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Traditional Name | 2-aminoethoxy((2R)-3-[(1Z)-hexadec-1-en-1-yloxy]-2-hydroxypropoxy)phosphinic acid |
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CAS Registry Number | 174062-72-7 |
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SMILES | [H][C@@](O)(CO\C=C/CCCCCCCCCCCCCC)COP(O)(=O)OCCN |
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InChI Identifier | InChI=1S/C21H44NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-19-21(23)20-28-29(24,25)27-18-16-22/h15,17,21,23H,2-14,16,18-20,22H2,1H3,(H,24,25)/b17-15-/t21-/m1/s1 |
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InChI Key | QYTPGOPLNFESQC-NUTQULCTSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as 1-(1z-alkenyl)-glycero-3-phosphoethanolamines. These are glycerophosphoglycerophosphates that carry exactly one 1Z-alkenyl chain attached to the glycerol moiety through an ether linkage. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Glycerophospholipids |
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Sub Class | Glycerophosphoethanolamines |
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Direct Parent | 1-(1Z-alkenyl)-glycero-3-phosphoethanolamines |
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Alternative Parents | |
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Substituents | - 1-(1z-alkenyl)-glycero-3-phosphoethanolamine
- Glycerol vinyl ether
- Phosphoethanolamine
- Dialkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Secondary alcohol
- Alcohol
- Hydrocarbon derivative
- Organic oxide
- Primary amine
- Organopnictogen compound
- Organic oxygen compound
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Primary aliphatic amine
- Amine
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Solid |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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LysoPE(P-16:0/0:0),1TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O[Si](C)(C)C | 3293.0 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),1TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN)O[Si](C)(C)C | 3269.4 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),1TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN[Si](C)(C)C | 3380.6 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C | 3269.2 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C | 3044.3 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C)O[Si](C)(C)C | 4338.3 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C)O[Si](C)(C)C | 3341.3 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C)O[Si](C)(C)C | 3200.7 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C)O[Si](C)(C)C | 4351.3 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C | 3322.3 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C | 3222.0 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C | 3844.0 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C | 3525.0 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C | 3253.3 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C | 4412.2 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3305.9 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3208.5 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3551.8 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 3496.6 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 3257.4 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 4078.2 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 3503.1 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 3277.7 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C | 3676.7 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),4TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3491.8 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),4TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3250.6 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),4TMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C | 3420.9 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),1TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN)O[Si](C)(C)C(C)(C)C | 3514.5 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),1TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C | 3466.8 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),1TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C | 3595.6 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3682.0 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3295.8 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4296.9 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3770.8 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3475.0 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4296.5 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3760.2 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3477.2 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3917.9 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3963.9 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 3521.3 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),2TBDMS,isomer #4 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 4346.9 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3967.9 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3593.1 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(OCCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3705.1 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4225.9 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3662.0 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #2 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4057.7 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 4173.2 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3656.6 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),3TBDMS,isomer #3 | CCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 3788.7 | Standard polar | 33892256 | LysoPE(P-16:0/0:0),4TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=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)C | 4405.5 | Semi standard non polar | 33892256 | LysoPE(P-16:0/0:0),4TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=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)C | 3753.1 | Standard non polar | 33892256 | LysoPE(P-16:0/0:0),4TBDMS,isomer #1 | CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=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)C | 3634.3 | Standard polar | 33892256 |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - LysoPE(P-16:0/0:0) GC-MS (Non-derivatized) - 70eV, Positive | splash10-0f6x-4911100000-d1601c2704b1a1e118ef | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - LysoPE(P-16:0/0:0) GC-MS (1 TMS) - 70eV, Positive | splash10-0it9-7491200000-2eb4e80e5df4cef2110d | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - LysoPE(P-16:0/0:0) GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 10V, Positive-QTOF | splash10-0006-9020200000-e163fc5a1ee5330da77d | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 20V, Positive-QTOF | splash10-0006-9120000000-fe3ce0f563cf0b8c447a | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 40V, Positive-QTOF | splash10-0006-9130000000-e797e3149b9f3935a2a8 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 10V, Negative-QTOF | splash10-000i-3485900000-e3410801ae2e61ac63ca | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 20V, Negative-QTOF | splash10-004l-9541000000-76579d705c9a17b33cff | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 40V, Negative-QTOF | splash10-01t9-9000000000-c2853fc10de5a9dc0647 | 2017-09-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 10V, Negative-QTOF | splash10-000i-0000900000-d8db21ed47b93cb4b7a1 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 20V, Negative-QTOF | splash10-000i-0111900000-929406e3ce92241cadcf | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - LysoPE(P-16:0/0:0) 40V, Negative-QTOF | splash10-000i-0000900000-d8db21ed47b93cb4b7a1 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
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Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, H2O, predicted) | 2022-08-21 | Wishart Lab | View Spectrum |
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- 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 ]
- 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 ]
- 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 ]
- Divecha N, Irvine RF: Phospholipid signaling. Cell. 1995 Jan 27;80(2):269-78. [PubMed:7834746 ]
- 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 ]
- Cevc, Gregor (1993). Phospholipids Handbook. Marcel Dekker.
- Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.
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