| Number |
qtl-m1539 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
|
| Observed mass(Da) |
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| Exact mass(Da) |
|
| Accurate mass error(ppm) |
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| Molecular formula |
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| Ionization model |
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| Ret. Time(min) |
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| Precursor ions(Q1) |
330.3 |
| Product ions(Q3) |
312.4 |
| Main fragments |
|
| Compound |
2-Amino-1,3-eicosanediol |
| Identification |
putative |
| class |
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| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:64907 |
| 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 |
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| ChEBI ID |
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| ChEBI Name |
2-aminoicosane-1,3-diol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
|
| Definition |
An aminodiol that is icosane bearing two hydroxy substituents at positions 1 and 3 as well as an amino substituent at position 2.;; |
| DrugBank Database Links |
|
| Formulae |
C20H43NO2;; |
| Gmelin Registry Numbers |
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| INN |
|
| IUPAC Names |
2-aminoicosane-1,3-diol;; |
| InChI |
InChI=1S/C20H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)19(21)18-22/h19-20,22-23H,2-18,21H2,1H3;; |
| InChIKey |
UFMHYBVQZSPWSS-UHFFFAOYSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
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| Last Modified |
15 Apr 2016;; |
| Mass |
329.56090;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
136349335;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
CCCCCCCCCCCCCCCCCC(O)C(N)CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
2-aminoeicosane-1,3-diol;;2-amino-1,3-eicosanediol;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
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