Detail Information

Number mr1444
Declustering Potential(DP) 30
Collision Energy(CE) 20
Observed mass(Da) 148.0603
Exact mass(Da) 148.0604
Accurate mass error(ppm) 0.91
Molecular formula C5H9NO4
Ionization model
Ret. Time(min) 2.15
Precursor ions(Q1) 148.0603
Product ions(Q3) 84.1
Main fragments 84.1, 106.2, 88.1
Compound O-Acetyl-L-serine
Identification putative
class Others
Organism Arabidopsis thaliana
Reference Hirai et. al (2003)
CV(%) 16.48
H2 0.20
Agricola Citation Links
ArrayExpress Database Links
Beilstein Registry Numbers
BioModels Database Links
CAS Registry Numbers
COMe Database Links
ChEBI Name O-acetyl-L-serine zwitterion;;
Charge 0;;
Chinese Abstracts Citation Links
CiteXplore Citation Links
Definition An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of O-acetyl-L-serine; major species at pH 7.3.;;
DrugBank Database Links
Formulae C5H9NO4;;
Gmelin Registry Numbers
IUPAC Names (2S)-3-acetoxy-2-azaniumylpropanoate;;
InChI InChI=1S/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1;;
IntAct Database Links
IntEnz Database Links EC;;EC;;EC;;EC;;EC;;EC;;EC;;EC;;EC;;
KEGG COMPOUND Database Links
KEGG DRUG Database Links
KEGG GLYCAN Database Links
LIPID MAPS class Database Links
LIPID MAPS instance Database Links
Last Modified 22 May 2014;;
Mass 147.12930;;
MolBase Database Links
PDBeChem Database Links
Patent Database Links
PubChem Database Links 104222258;;
PubMed Central Citation Links
PubMed Citation Links
RESID Database Links
Reactome Database Links
Rhea Database Links RHEA:39903;;RHEA:36263;;RHEA:32743;;RHEA:30891;;RHEA:29659;;RHEA:24560;;RHEA:22112;;RHEA:17333;;RHEA:14829;;RHEA:13117;;RHEA:12693;;RHEA:11496;;
SABIO-RK Database Links
SMILES CC(=O)OC[C@H]([NH3+])C([O-])=O;;
Secondary ChEBI ID
Star 3;;
Synonyms O-acetyl-L-serine;;(2S)-3-acetoxy-2-ammoniopropanoate;;
UM-BBD compID Database Links
UniProt Database Links Q9ZMW6;;Q9ZK14;;Q9YBL2;;Q9XEA8;;Q9XEA6;;Q9US33;;Q9SXS7;;Q9S757;;Q9S6Z7;;Q9I526;;Q9FS29;;Q92441;;Q8W2B8;;Q8W0E4;;Q8S895;;Q8KA48;;Q8CTU2;;Q8CMT6;;Q89B11;;Q7DDL5;;Q76MX2;;Q6GJF8;;Q6GJE0;;Q6GBX5;;Q6GBV9;;Q65PC9;;Q5XAQ3;;Q5HRP1;;Q5HRM4;;Q5HIG2;;Q5HIE6;;Q59967;
ChEBI Image