| Number |
qtl-m0260 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
318.3003 |
| Exact mass(Da) |
318.3003 |
| Accurate mass error(ppm) |
0.09 |
| Molecular formula |
C18H39NO3 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
318.3 |
| Product ions(Q3) |
60.1 |
| Main fragments |
60.1, 300.3, 282.3, 270.4, 252.4, 95.2 |
| Compound |
Phytosphingosine |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:46961 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1725301;; |
| BioModels Database Links |
BIOMD0000000472;;BIOMD0000000471;; |
| CAS Registry Numbers |
|
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
phytosphingosine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
|
| DrugBank Database Links |
|
| Formulae |
C18H39NO3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
|
| 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;; |
| InChIKey |
AERBNCYCJBRYDG-KSZLIROESA-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 |
LMSP01030001;; |
| Last Modified |
27 Jan 2016;; |
| Mass |
317.50720;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2007104981;;US2008085939;;US2007238764;;US2007207983;;US2005143346;;EP1923060;;EP1738747;;EP1714644;;EP1661562;;EP1618876;;EP1576894;;EP1452520;; |
| PubChem Database Links |
26744203;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-428262;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO;; |
| Secondary ChEBI ID |
CHEBI:31999;;CHEBI:26123;; |
| Star |
3;; |
| Synonyms |
4-R-hydroxyoctadecasphinganine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9NUN7;;Q9LRB0;;Q9D099;;Q9AST3;;Q8VYI1;;Q8TDN7;;Q8R4X1;;Q8L7L1;;Q12382;;Q12246;;Q06147;;Q02896;;P38298;;P18961;;P12688;;O82359;;O14159;;F2Y4A3;; |
| ChEBI Image |
 |
| |
|
