| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-09-30 23:09:46 UTC |
|---|
| Update Date | 2020-05-11 20:57:18 UTC |
|---|
| BMDB ID | BMDB0004610 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | Phytosphingosine |
|---|
| Description | Phytosphingosine, also known as SP(t18:0), 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. Thus, phytosphingosine is considered to be a sphingoid base lipid molecule. Phytosphingosine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Phytosphingosine exists in all eukaryotes, ranging from yeast to humans. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 4-D-Hydroxysphinganine | ChEBI | | 4-R-Hydroxyoctadecasphinganine | ChEBI | | (+)-D-Ribo-phytosphingosine | HMDB | | 4-D-Hydroxy-sphinganine | HMDB | | 4D-Hydroxysphinganine | HMDB | | C18-Phytosphingosine | HMDB | | D-Ribo-1,3,4-trihydroxy-2-aminooctadecane | HMDB | | D-Ribo-2-amino-1,3,4-octadecanetriol | HMDB | | [2S-(2R*,3R*,4S*)]-2-amino-1,3,4-octadecanetriol | HMDB | | 8-(Z-e)-C18-Phytosphingenine | HMDB | | (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol | HMDB | | (2S,3S,4R)-2-Amino-1,3,4-trihydroxyoctadecane | HMDB | | D-Ribo-phytosphingosine | HMDB | | SP(t18:0) | HMDB | | Phytosphingosine | HMDB |
|
|---|
| Chemical Formula | C18H39NO3 |
|---|
| Average Molecular Weight | 317.5072 |
|---|
| Monoisotopic Molecular Weight | 317.292994119 |
|---|
| IUPAC Name | (2S,3S,4R)-2-aminooctadecane-1,3,4-triol |
|---|
| Traditional Name | phytosphingosine |
|---|
| CAS Registry Number | 554-62-1 |
|---|
| SMILES | CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO |
|---|
| InChI Identifier | InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/t16-,17+,18-/m0/s1 |
|---|
| InChI Key | AERBNCYCJBRYDG-KSZLIROESA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic nitrogen compounds |
|---|
| Class | Organonitrogen compounds |
|---|
| Sub Class | Amines |
|---|
| Direct Parent | 1,3-aminoalcohols |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Detected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | 102 - 103 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
