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Identification |
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YMDB ID | YMDB00964 |
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Name | N-Hexacosanoylphytosphingosine |
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Species | Saccharomyces cerevisiae |
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Strain | Baker's yeast |
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Description | N-Hexacosanoylphytosphingosine, also known as cer2_26 or N-hexacosanoyl-4-hydroxysphinganine, belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. Thus, N-hexacosanoylphytosphingosine is considered to be a ceramide lipid molecule. N-Hexacosanoylphytosphingosine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. |
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Structure | |
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Synonyms | - cer2_26
- ceramide-2 (phytosphingosine:N-C26:0)
- N-(Hexacosanoyl)-(4R)-hydroxysphinganine
- N-Hexacosanoyl-4-hydroxysphinganine
- N-(Hexacosanoyl)-4-hydroxysphinganine
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CAS number | Not Available |
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Weight | Average: 696.1818 Monoisotopic: 695.679160341 |
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InChI Key | GKRXVCWVXYHWOD-KZRDWULCSA-N |
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InChI | InChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1 |
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IUPAC Name | N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide |
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Traditional IUPAC Name | N-hexacosanoylphytosphingosine |
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Chemical Formula | C44H89NO4 |
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SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as phytoceramides. These are n-acylated 4-hydroxysphinganine. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Sphingolipids |
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Sub Class | Ceramides |
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Direct Parent | Phytoceramides |
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Alternative Parents | |
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Substituents | - N-acyl-4-hydroxysphinganine
- Fatty amide
- N-acyl-amine
- Fatty acyl
- Carboxamide group
- Secondary alcohol
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Polyol
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Alcohol
- Organic nitrogen compound
- Carbonyl group
- Primary alcohol
- Hydrocarbon derivative
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physical Properties |
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State | Not Available |
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Charge | 0 |
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Melting point | Not Available |
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Experimental Properties | Property | Value | Reference |
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Water Solubility | Not Available | PhysProp | LogP | Not Available | PhysProp |
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Predicted Properties | |
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Biological Properties |
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Cellular Locations | |
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Organoleptic Properties | Not Available |
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SMPDB Pathways | Not Available |
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KEGG Pathways | Not Available |
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SMPDB Reactions | Not Available |
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KEGG Reactions | |
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Concentrations |
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Intracellular Concentrations | Not Available |
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Extracellular Concentrations | Not Available |
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Spectra |
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Spectra | Spectrum Type | Description | Splash Key | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TMS_1_3) - 70eV, Positive | Not Available | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00mk-0005009000-2756de8f0da56e85afcc | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0nti-9227804000-109fb26b06482c440616 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0uds-7937503000-ddf573884fa37cab40c8 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0006-0021309000-df2a2c7a1ec1415c4d8d | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4u-2055903000-65e55d4d03be58bc1a66 | JSpectraViewer | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9133000000-cbf8d2b8773728cdeb01 | JSpectraViewer |
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References |
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References: | - Herrgard, M. J., Swainston, N., Dobson, P., Dunn, W. B., Arga, K. Y., Arvas, M., Bluthgen, N., Borger, S., Costenoble, R., Heinemann, M., Hucka, M., Le Novere, N., Li, P., Liebermeister, W., Mo, M. L., Oliveira, A. P., Petranovic, D., Pettifer, S., Simeonidis, E., Smallbone, K., Spasic, I., Weichart, D., Brent, R., Broomhead, D. S., Westerhoff, H. V., Kirdar, B., Penttila, M., Klipp, E., Palsson, B. O., Sauer, U., Oliver, S. G., Mendes, P., Nielsen, J., Kell, D. B. (2008). "A consensus yeast metabolic network reconstruction obtained from a community approach to systems biology." Nat Biotechnol 26:1155-1160.18846089
- Mao, C., Xu, R., Bielawska, A., Szulc, Z. M., Obeid, L. M. (2000). "Cloning and characterization of a Saccharomyces cerevisiae alkaline ceramidase with specificity for dihydroceramide." J Biol Chem 275:31369-31378.10900202
- Jiang, J. C., Kirchman, P. A., Zagulski, M., Hunt, J., Jazwinski, S. M. (1998). "Homologs of the yeast longevity gene LAG1 in Caenorhabditis elegans and human." Genome Res 8:1259-1272.9872981
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Synthesis Reference: | Not Available |
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External Links: | Resource | Link |
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CHEBI ID | 52980 | HMDB ID | Not Available | Pubchem Compound ID | 10417280 | Kegg ID | Not Available | ChemSpider ID | Not Available | FOODB ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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