2-Amino-1,3,4-octadecanetriol
545
Reference
2-Amino-1,3,4-octadecanetriol Structure
Systematic / IUPAC Name: 2-Amino-1,3,4-octadecanetriol
ID: Reference545
Other Names:
4-D-Hydroxysphinganine;
(2S,3S,4R)-2-Aminooctadecane-1,3,4-triol;
4-Hydroxysphinganine;
D-Ribo-1,3,4-trihydroxy-2-aminooctadecane;
D-Ribo-2-aminooctadecane-1,3,4-triol
; more
Formula: C18H39NO3
Class: Endogenous Metabolites
Spectral Data
2-Amino-1,3,4-octadecanetriol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Elite |
| No. of Spectral Trees | 2 |
| No. of Spectra | 311 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 2/4/2015 9:33:47 AM |
Identificators
| InChI | 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 |
| Canonical SMILES | OC(CCCCCCCCCCCCCC)C(O)C(N)CO |
| CAS | 554621 |
| Splash | |
| Other Names |
4-D-Hydroxysphinganine; (2S,3S,4R)-2-Aminooctadecane-1,3,4-triol; 4-Hydroxysphinganine; D-Ribo-1,3,4-trihydroxy-2-aminooctadecane; D-Ribo-2-aminooctadecane-1,3,4-triol; (2S,3S,4R)-2-Amino-1,3,4-octadecanetriol; 4-R-Hydroxyoctadecasphinganine; D-Ribo-2-amino-1,3,4-octadecanetriol; [2S-(2R*,3R*,4S*)]-2-Amino-1,3,4-octadecanetriol; 1,3,4-Octadecanetriol, 2-amino, (2S-(2R*,3R*,4S*))-; Phytosphingosine; (+)-D-Ribo-phytosphingosine |
In Other Databases
| KEGG | C12144 |
| ChemIDPlus | 000554621 |
| HMDb | HMDB04610 |
| LipidsMAPs | LMSP01030001 |
| ChEMBL | CHEMBL236036 |
| ChEBI | CHEBI:46961 |
| PubChem | 122121 |
| ChemSpider | 108921 |