| Number |
mr1054 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
40 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
21.80 |
| Precursor ions(Q1) |
281.3 |
| Product ions(Q3) |
81.1 |
| Main fragments |
81.1, 263.3, 245.3, 105.1, 91.1 |
| Compound |
Linoleic acid |
| Identification |
standard |
| class |
Fatty acid |
| Organism |
|
| Reference |
|
| CV(%) |
89.58 |
| H2 |
0.31 |
| ChEBI_ID |
CHEBI:17351 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1727101;; |
| BioModels Database Links |
BIOMD0000000415;; |
| CAS Registry Numbers |
60-33-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
linoleic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry.;; |
| DrugBank Database Links |
|
| Formulae |
C18H32O2;; |
| Gmelin Registry Numbers |
57557;; |
| INN |
|
| IUPAC Names |
(9Z,12Z)-octadeca-9,12-dienoic acid;; |
| InChI |
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-;; |
| InChIKey |
OYHQOLUKZRVURQ-HZJYTTRNSA-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 |
LMFA01030120;; |
| Last Modified |
24 Mar 2016;; |
| Mass |
280.44550;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008125616;;WO2008116602;;WO2007136428;;WO2007135574;;WO2007135518;;WO2007132273;;WO2007130882;;WO2007124465;;WO2007107856;;WO2007097593;;WO2007096148;;WO2007094605;;WO2007089902;;WO2007089685;;WO2006050002;;WO2005095378;;WO2005090274;;WO2005082889;;US2 |
| PubChem Database Links |
8145523;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8412012;;8123682;;8040295;;6205897;;6153705;;24081493;;23940645;;23900039;;22060189;;19936816;;19628674;;19212411;;18990554;;18044828;;17647039;;16563718;;16254037;;15969511;;15642793;;15115315;;14993245;;14667063;;14634727;;12562862;;12154268;;11811948;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-879724;;R-HSA-879585;;R-HSA-5627891;;R-HSA-560517;;R-HSA-560473;;R-HSA-400143;;R-HSA-2453833;;R-HSA-2429643;;R-HSA-2404140;;R-HSA-2404133;;R-HSA-2046098;;R-HSA-1989779;;R-HSA-1989778;;R-HSA-1989777;;R-HSA-1989776;;R-HSA-1989775;;R-HSA-1989774;;R-HSA |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9948;;7702;;6789;;6586;;3408;;11927;;10949;; |
| SMILES |
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O;; |
| Secondary ChEBI ID |
CHEBI:25047;;CHEBI:6479;;CHEBI:42395;; |
| Star |
3;; |
| Synonyms |
linolic acid;;cis-Delta(9,12)-octadecadienoic acid;;cis-D9,12-Octadecadienoic acid;;cis-D9,12-Octadecadienoate;;cis-9,cis-12-Octadecadienoic acid;;cis-9,cis-12-Octadecadienoate;;cis,cis-linoleic acid;;cis,cis-Linoleate;;cis,cis-9,12-octadecadienoic acid;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZVQ3;;Q9ZRT5;;Q9Z122;;Q9Z0R9;;Q9Y8H5;;Q9XIA9;;Q9WV07;;Q9UUS2;;Q9T0A0;;Q9T009;;Q9SJD4;;Q9SGH6;;Q9NEQ0;;Q9LZ31;;Q9LUW0;;Q9LNR3;;Q9JID6;;Q9I9P7;;Q9FNX8;;Q9DEX7;;Q9CAP8;;Q9CAG3;;Q9C7W4;;Q9BYJ1;;Q96266;;Q920R3;;Q920L1;;Q8YK97;;Q8W257;;Q8RNT4;;Q8LPS1;;Q8LKS5; |
| ChEBI Image |
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