2-Amino-1,3,4-octadecanetriol

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.

View Mass Spectra

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
View Mass Spec Data > >

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