| Number |
qtl-m0198 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
290.2686 |
| Exact mass(Da) |
290.269 |
| Accurate mass error(ppm) |
1.36 |
| Molecular formula |
C16H32O3 |
| Ionization model |
NH4+ |
| Ret. Time(min) |
|
| Precursor ions(Q1) |
290.2 |
| Product ions(Q3) |
228.4 |
| Main fragments |
228.4, 272.4, 184.4, 102.1, 88.1 |
| Compound |
16-Hydroxy-hexadecanoic acid |
| Identification |
putative |
| class |
Fatty acid |
| Organism |
|
| Reference |
Bonaventure et. al (2004) |
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:55328 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1783998;; |
| BioModels Database Links |
|
| CAS Registry Numbers |
506-13-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
juniperic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A C16 omega-hydroxy fatty acid and key monomer of cutin in the plant cuticle.;; |
| DrugBank Database Links |
|
| Formulae |
C16H32O3;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
16-hydroxyhexadecanoic acid;; |
| InChI |
InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19);; |
| InChIKey |
UGAGPNKCDRTDHP-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
C18218 |
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMFA01050051;; |
| Last Modified |
12 Mar 2015;; |
| Mass |
272.42350;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
87246603;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
5025632;;21405069;;16660004;;16659124;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
9584;;13099;; |
| SMILES |
OCCCCCCCCCCCCCCCC(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
omega-Hydroxypalmitic acid;;Juniperic acid;;16-hydroxypalmitic acid;;16-hydroxy-hexadecanoic acid;;16-OH 16:0;;16-Hydroxypalmitic acid;;16-Hydroxyhexadecanoic acid;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
