| Number |
qtl-m1371 |
| 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) |
279.2 |
| Product ions(Q3) |
95.1 |
| Main fragments |
|
| Compound |
?-Linolenic acid |
| Identification |
standard |
| class |
Fatty acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:27432 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1727693;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
463-40-1;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
alpha-linolenic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect.;; |
| DrugBank Database Links |
DB00132;; |
| Formulae |
C18H30O2;; |
| Gmelin Registry Numbers |
57558;; |
| INN |
|
| IUPAC Names |
(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid;; |
| InChI |
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-;; |
| InChIKey |
DTOSIQBPPRVQHS-PDBXOOCHSA-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 |
LMFA01030152;; |
| Last Modified |
23 Mar 2016;; |
| Mass |
278.42960;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
US2008176956;;US2008166781;;US2008058418;;US2007265341;;US2007196445;;US2006035350;;US2005014826;;US2004131648;;EP1961311;;EP1854462;;EP1685834;;EP1676488;; |
| PubChem Database Links |
8144514;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8717442;;7929039;;7913655;;7825540;;7774533;;3315767;;24855655;;24639012;;24320056;;22411374;;21359215;;19269799;;16430627;;16249438;;15776817;;15051847;;15017185;;14643447;;12668490;;12438303;;11304127;;11290821;;11157315;;11090255;;10775263;;10617967;;1 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-879724;;R-HSA-560517;;R-HSA-560473;;R-HSA-444191;;R-HSA-400143;;R-HSA-383313;;R-HSA-2046085;;R-HSA-1989779;;R-HSA-1989778;;R-HSA-1989777;;R-HSA-1989776;;R-HSA-1989775;;R-HSA-1989774;;R-HSA-1989773;;R-HSA-1989772;;R-HSA-1989771;;R-HSA-1989770;;R-HSA- |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9850;;13583;; |
| SMILES |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O;; |
| Secondary ChEBI ID |
CHEBI:22462;;CHEBI:10298;;CHEBI:43891;; |
| Star |
3;; |
| Synonyms |
linolenic acid;;cis-Delta(9,12,15)-octadecatrienoic acid;;cis-9,12,15-Octadecatrienoic acid;;cis-9,12,15-Octadecatrienoate;;cis,cis,cis-9,12,15-octadecatrienoic acid;;cis,cis,cis-9,12,15-Octadecatrienoate;;alpha-linolenic acid;;alpha-Linolenic acid;;all-c |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZVX8;;Q9ZVS8;;Q9ZV07;;Q9ZUY3;;Q9ZU50;;Q9ZT82;;Q9ZT16;;Q9ZQZ9;;Q9ZQ70;;Q9ZMZ3;;Q9ZLY1;;Q9ZLA5;;Q9ZK59;;Q9ZJY5;;Q9ZJT0;;Q9ZJC6;;Q9ZHC7;;Q9ZGN0;;Q9ZG88;;Q9ZFA4;;Q9ZDS6;;Q9ZDC4;;Q9ZDC0;;Q9ZCW0;;Q9ZCD3;;Q9ZCB8;;Q9ZCA4;;Q9ZBX9;;Q9ZBR9;;Q9ZBA9;;Q9ZBA5;;Q9ZAA7; |
| ChEBI Image |
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