| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-07-13 19:52:29 UTC |
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| Update Date | 2016-08-09 21:33:36 UTC |
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| Lmdb | LMDB00557 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | PC(dm18:1(9Z)/dm18:1(9Z)) |
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| Description | PC(dm18:1(9Z)/dm18:1(9Z)) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PC(dm18:1(9Z)/dm18:1(9Z)), in particular, consists of two chains of plasmalogen 18:1n9 at the C-1 and C-2 positions. The plasmalogen 18:1n9 moieties are derived from animal fats, liver and kidney. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C10H15NO4 |
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| Average Molecular Weight | 213.2304 |
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| Monoisotopic Molecular Weight | 213.100107973 |
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| IUPAC Name | 2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide |
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| Traditional Name | 2-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@]1(CCOC1=O)NC(=O)C(=O)CCCC |
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| InChI Identifier | InChI=1S/C10H15NO4/c1-2-3-4-8(12)9(13)11-7-5-6-15-10(7)14/h7H,2-6H2,1H3,(H,11,13)/t7-/m0/s1 |
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| InChI Key | HXDSMMVKIYAMIA-ZETCQYMHSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | N-acyl-alpha amino acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Alpha-amino acid ester
- N-acyl-alpha amino acid or derivatives
- Acyl-homoserine lactone
- Acyl-l-homoserine lactone
- Fatty amide
- Gamma butyrolactone
- N-acyl-amine
- Fatty acyl
- Oxolane
- Carboxamide group
- Carboxylic acid ester
- Ketone
- Lactone
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Oxacycle
- Hydrocarbon derivative
- Organic nitrogen compound
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Organonitrogen compound
- Organooxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Detected and Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental 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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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-03e9-7910000000-ac3ce6fd39cdc04fa91d | Spectrum | | GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 1 TMS) | splash10-0gwr-5920000000-f690d864e229af159d4e | Spectrum | | GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 1 TMS) | splash10-0il0-5920000000-a5b15069564b36e40c85 | Spectrum | | GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-03e9-7910000000-ebc14f9a7070bbcba455 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-2980000000-5d0f255c316a1986ab65 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0ikm-9710000000-53c0e75a5dc60faf5f35 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052o-9000000000-1657925cd7e33872251e | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0ik9-1890000000-6fbb493b295d014b5558 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0w2i-7910000000-ea196f0288ca387e01df | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-007o-9200000000-a08c59141b8c4c21d383 | Spectrum |
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