| Number |
qtl-m0062 |
| Declustering Potential(DP) |
10 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
300.2895 |
| Exact mass(Da) |
300.2897 |
| Accurate mass error(ppm) |
0.69 |
| Molecular formula |
C18H37NO2 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
300.4 |
| Product ions(Q3) |
283.3 |
| Main fragments |
283.3, 241.7, 229.7 |
| Compound |
3-Ketosphinganine |
| Identification |
putative |
| class |
Fatty acid |
| Organism |
|
| Reference |
Lynch et. al (2004) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:46966 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1874784;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
16105-69-4;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
2-amino-1-hydroxyoctadecan-3-one;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C18H37NO2;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2-amino-1-hydroxyoctadecan-3-one;; |
| InChI |
InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H3;; |
| InChIKey |
KBUNOSOGGAARKZ-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
17 Oct 2011;; |
| Mass |
299.49192;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
26744378;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CCCCCCCCCCCCCCCC(=O)C(N)CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
ketodihydrosphingosine;;3-ketosphinganine;;2-amino-1-hydroxy-3-octadecanone;;1-hydroxy-2-amino-3-oxo-octadecane;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q7RZR2;;Q758B6;;Q6GV12;;Q6FQ42;;Q6CLN0;;Q6CE86;;Q6BQK1;;Q5BE65;;Q59RQ2;;Q55FL5;;Q556J2;;Q54EX5;;Q2KIJ5;;Q09925;;Q06136;;P40970;;P38342;;P25045;;P0CR37;;P0CR36;;O59682;; |
| ChEBI Image |
 |
| |
|
