| Number |
mr1321 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
1.57 |
| Precursor ions(Q1) |
116.1 |
| Product ions(Q3) |
70.0 |
| Main fragments |
70.0, 66.6, 63.9 |
| Compound |
L-Proline |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
32.53 |
| H2 |
0.26 |
| ChEBI_ID |
CHEBI:17203 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
80810;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;; |
| CAS Registry Numbers |
147-85-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-proline;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha |
| DrugBank Database Links |
DB00172;; |
| Formulae |
C5H9NO2;; |
| Gmelin Registry Numbers |
50152;; |
| INN |
proline;; |
| IUPAC Names |
L-proline;; |
| InChI |
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1;; |
| InChIKey |
ONIBWKKTOPOVIA-BYPYZUCNSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00035 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
115.13050;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
PRO;; |
| Patent Database Links |
WO2007106675;;WO2007099171;;WO2006114093;;WO2006094209;;WO2006086484;;WO2006071079;;WO2006071017;;WO2006004433;;WO2005072733;;WO2005054429;;WO2005023198;;WO2005010160;;WO2005010028;;US2008287483;;US2007249541;;US2007231390;;US2007231313;;US2007219157;;US2 |
| PubChem Database Links |
8144250;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
991465;;6142902;;533224;;3943105;;3698278;;3364629;;3316273;;240452;;24027187;;23940645;;22770225;;22491679;;22482728;;22475019;;22451406;;22201772;;22139509;;21359215;;20300169;;19811425;;19688381;;19656302;;19580280;;19309105;;19215998;;19212411;;189733 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-983162;;R-HSA-983158;;R-HSA-983150;;R-HSA-70670;;R-HSA-70664;;R-HSA-6783955;;R-HSA-6783939;;R-HSA-5660694;;R-HSA-5653850;;R-HSA-444100;;R-HSA-428007;;R-HSA-427998;;R-HSA-380198;;R-HSA-379865;;R-HSA-375417;;R-HSA-375405;;R-HSA-352108;;R-HSA-352059;;R |
| Rhea Database Links |
|
| SABIO-RK Database Links |
8139;;752;;574;;404;;1470;;1468;;13974;;13190;;12814;;12813;;12812;;12811;;12810;;12411;;12410;;12236;;12183;;11280;;11279;;11278;;11277;;11276;;11275;;11268;;11084;;10996;;10587;;1051;;10070;; |
| SMILES |
OC(=O)[C@@H]1CCCN1;; |
| Secondary ChEBI ID |
CHEBI:21373;;CHEBI:13154;;CHEBI:6286;;CHEBI:184637;;CHEBI:42067;;CHEBI:45040;;CHEBI:45100;;CHEBI:45159;; |
| Star |
3;; |
| Synonyms |
prolinum;;prolina;;L-pyrrolidine-2-carboxylic acid;;L-alpha-pyrrolidinecarboxylic acid;;L-Prolin;;L-(-)-proline;;2-Pyrrolidinecarboxylate;;(S)-pyrrolidine-2-carboxylic acid;;(S)-Proline;;(S)-2-pyrrolidinecarboxylic acid;;(S)-2-carboxypyrrolidine;;(S)-2-Py |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZWS9;;Q9ZWA6;;Q9ZW75;;Q9ZW36;;Q9ZVX8;;Q9ZVD0;;Q9ZV53;;Q9ZV15;;Q9ZV07;;Q9ZUZ2;;Q9ZUU4;;Q9ZUE0;;Q9ZU50;;Q9ZTS1;;Q9ZT49;;Q9ZT17;;Q9ZR72;;Q9ZQI0;;Q9ZQ23;;Q9ZPP1;;Q9ZPF5;;Q9ZNY3;;Q9ZNU2;;Q9ZNQ8;;Q9ZMJ6;;Q9ZLR1;;Q9ZK56;;Q9ZJH5;;Q9ZGE6;;Q9ZG98;;Q9ZDE7;;Q9Z8F8; |
| ChEBI Image |
 |
| |
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