| Number |
qtl-m1494 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
318.3 |
| Product ions(Q3) |
256.3 |
| Main fragments |
|
| Compound |
4-Hydroxysphinganine |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:64124 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
phytosphingosine(1+);; |
| Charge |
+1;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A cationic sphingoid that is the conjugate acid of phytosphingosine, obtained by protonation of the primary amino function; major species at pH 7.3.;; |
| DrugBank Database Links |
|
| Formulae |
C18H40NO3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-aminium;; |
| 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/p+1/t16-,17+,18-/m0/s1;; |
| InChIKey |
AERBNCYCJBRYDG-KSZLIROESA-O;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.7.1.91;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
02 Apr 2015;; |
| Mass |
318.51510;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
135610810;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
|
| Rhea Database Links |
RHEA:45380;;RHEA:45368;;RHEA:45364;;RHEA:45012;;RHEA:41303;;RHEA:38687;;RHEA:35651;;RHEA:33847;;RHEA:33835;;RHEA:33755;;RHEA:33595;;RHEA:33563;;RHEA:33555;;RHEA:33519;;RHEA:33339;;RHEA:33067;; |
| SABIO-RK Database Links |
|
| SMILES |
CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
phytosphingosinium(1+);;4-hydroxysphinganinium(1+);;4-hydroxysphinganine(1+);;4-hydroxysphinganine;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9LRB0;;Q9AST3;;Q8VYI1;;Q8L7L1;;F2Y4A3;; |
| ChEBI Image |
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