| Number |
mr1438 |
| Declustering Potential(DP) |
20 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
1.72 |
| Precursor ions(Q1) |
133.0 |
| Product ions(Q3) |
74.0 |
| Main fragments |
74.0, 123.1, 112.1, 83.1 |
| Compound |
L-Asparagine |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
66.46 |
| H2 |
0.75 |
| ChEBI_ID |
CHEBI:17196 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1723527;; |
| BioModels Database Links |
BIOMD0000000497;;BIOMD0000000496;;BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;;BIOMD0000000470;;BIOMD0000000469;; |
| CAS Registry Numbers |
70-47-3;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-asparagine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An optically active form of asparagine having L-configuration.;; |
| DrugBank Database Links |
DB00174;; |
| Formulae |
C4H8N2O3;; |
| Gmelin Registry Numbers |
3334;; |
| INN |
|
| IUPAC Names |
L-asparagine;; |
| InChI |
InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1;; |
| InChIKey |
DCXYFEDJOCDNAF-REOHCLBHSA-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 |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
132.11800;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
ASN;; |
| Patent Database Links |
WO2007097934;;WO2006086484;;WO2006004433;;WO2005010160;;US2007219157;;US2007202058;;US2007197430;;US2006223760;;US2005130881;;US2005085547;;US2004034080;;GB1585736;;EP1983044;;EP1938798;;EP1869977;;EP1762232;;EP1627884;;EP1616963;;EP1609462;;EP1568283;;EP |
| PubChem Database Links |
8144629;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7914846;;6198473;;24027187;;22513289;;21854356;;21800258;;19309105;;19212411;;18502700;;18052033;;17497286;;16844612;;16668324;;16368161;;16239337;;16190636;;16027730;;15911239;;15907185;;15875186;;15849197;;15835923;;15828851;;15284236;;15270080;;1499229 |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-983162;;R-HSA-983158;;R-HSA-983150;;R-HSA-70599;;R-HSA-428007;;R-HSA-427998;;R-HSA-380227;;R-HSA-379996;;R-HSA-352191;;R-HSA-352182;;R-HSA-352174;;R-HSA-352119;;R-HSA-352108;;R-HSA-352059;;R-HSA-1247939;;R-HSA-1247927;;R-HSA-1247912;;R-HSA-1236970;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
98;;917;;6996;;3220;;286;;1658;;1483;;13466;;10043;; |
| SMILES |
N[C@@H](CC(N)=O)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:21242;;CHEBI:13083;;CHEBI:6191;;CHEBI:40902;; |
| Star |
3;; |
| Synonyms |
alpha-aminosuccinamic acid;;alpha-Aminosuccinamate;;alpha Amminosuccinamic acid;;alpha Amminosuccinamate;;a-Aminosuccinamic acid;;a-Aminosuccinamate;;N;;L-beta-Asparagine;;L-b-Asparagine;;L-aspartic acid beta-amide;;L-Aspartamine;;L-Asparagin;;L-2-aminosu |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
U6BLZ9;;U6A629;;Q9ZZX1;;Q9ZWQ7;;Q9ZWA9;;Q9ZWA6;;Q9ZVX8;;Q9ZVC7;;Q9ZVC2;;Q9ZV65;;Q9ZV07;;Q9ZUA0;;Q9ZSD6;;Q9ZRA3;;Q9ZQC5;;Q9ZPY0;;Q9ZNT9;;Q9ZNQ8;;Q9ZMF4;;Q9ZLT1;;Q9ZLH6;;Q9ZLB9;;Q9ZKM6;;Q9ZE11;;Q9ZE09;;Q9ZCK8;;Q9Z9X0;;Q9Z9G8;;Q9Z9G6;;Q9Z8W5;;Q9Z581;;Q9Z578; |
| ChEBI Image |
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