| 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 |
| ChEBI_ID |
CHEBI:58340 |
| 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 |
O-acetyl-L-serine zwitterion;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| 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 |
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| Formulae |
C5H9NO4;; |
| Gmelin Registry Numbers |
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| INN |
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| 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;; |
| InChIKey |
VZXPDPZARILFQX-BYPYZUCNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 2.6.99.3;;EC 2.5.1.53;;EC 2.5.1.52;;EC 2.5.1.51;;EC 2.5.1.50;;EC 2.5.1.47;;EC 2.5.1.119;;EC 2.5.1.118;;EC 2.3.1.30;; |
| 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 |
22 May 2014;; |
| Mass |
147.12930;; |
| MolBase Database Links |
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| PDBeChem Database Links |
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| Patent Database Links |
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| PubChem Database Links |
104222258;; |
| 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 |
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 |
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| 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 |
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| 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 |
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