| Identification |
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| YMDB ID | YMDB01098 |
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| Name | (2S,3S,4R)-2-aminohexadecane-1,3,4-triol |
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| Species | Saccharomyces cerevisiae |
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| Strain | Baker's yeast |
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| Description | (2S,3S,4R)-2-aminohexadecane-1,3,4-triol, also known as (4R)-hydroxyhexadecasphinganine or hexadecaphytosphingosine, belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom (2S,3S,4R)-2-aminohexadecane-1,3,4-triol is a very strong basic compound (based on its pKa) (2S,3S,4R)-2-aminohexadecane-1,3,4-triol may be a unique S. cerevisiae (yeast) metabolite. |
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| Structure | |
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| Synonyms | - (4R)-Hydroxyhexadecasphinganine
- Hexadecaphytosphingosine
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| CAS number | Not Available |
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| Weight | Average: 289.454
Monoisotopic: 289.261693991 |
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| InChI Key | OCHZTELGZBWSJD-XHSDSOJGSA-N |
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| InChI | InChI=1S/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)16(20)14(17)13-18/h14-16,18-20H,2-13,17H2,1H3/t14-,15+,16-/m0/s1 |
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| IUPAC Name | (2S,3S,4R)-2-aminohexadecane-1,3,4-triol |
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| Traditional IUPAC Name | (2S,3S,4R)-2-aminohexadecane-1,3,4-triol |
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| Chemical Formula | C16H35NO3 |
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| SMILES | [H][C@](N)(CO)[C@]([H])(O)[C@H](O)CCCCCCCCCCCC |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Amines |
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| Direct Parent | 1,3-aminoalcohols |
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| Alternative Parents | |
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| Substituents | - 1,3-aminoalcohol
- Secondary alcohol
- 1,2-aminoalcohol
- Polyol
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Primary alcohol
- Organooxygen compound
- Primary aliphatic amine
- Alcohol
- 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 | Not Available |
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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 | Not Available |
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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 | |
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| References |
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| References: | - Ejsing, C. S., Sampaio, J. L., Surendranath, V., Duchoslav, E., Ekroos, K., Klemm, R. W., Simons, K., Shevchenko, A. (2009). "Global analysis of the yeast lipidome by quantitative shotgun mass spectrometry." Proc Natl Acad Sci U S A 106:2136-2141.19174513
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| Synthesis Reference: | Not Available |
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| External Links: | | Resource | Link |
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| CHEBI ID | 76698 | | HMDB ID | Not Available | | Pubchem Compound ID | 11312307 | | Kegg ID | Not Available | | ChemSpider ID | Not Available | | FOODB ID | Not Available | | Wikipedia ID | Not Available | | BioCyc ID | Not Available |
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