| Number |
qtl-m0018 |
| Declustering Potential(DP) |
10 |
| Collision Energy(CE) |
20 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
134.1 |
| Product ions(Q3) |
88.1 |
| Main fragments |
88.1, 116.1, 74.1, 70.0, 68.0 |
| Compound |
L-Aspartic acid |
| Identification |
standard |
| class |
Amino acid |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:17053 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
1723530;; |
| BioModels Database Links |
BIOMD0000000212;;BIOMD0000000066;; |
| CAS Registry Numbers |
56-84-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
L-aspartic acid;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The L-enantiomer of aspartic acid.;; |
| DrugBank Database Links |
DB00128;; |
| Formulae |
C4H7NO4;; |
| Gmelin Registry Numbers |
3333;; |
| INN |
|
| IUPAC Names |
L-aspartic acid;;(2S)-2-aminobutanedioic acid;; |
| InChI |
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1;; |
| InChIKey |
CKLJMWTZIZZHCS-REOHCLBHSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00013 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
133.10270;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
ASP;; |
| Patent Database Links |
WO2008127060;;WO2007108031;;WO2006134608;;WO2006086484;;WO2006004433;;WO2005080370;;WO2005010160;;US2008293760;;US2007259808;;US2007243261;;US2007238669;;US2007219157;;US2007213257;;US2007197430;;US2007190021;;US2007178435;;US2006223760;;US2005130881;;US2 |
| PubChem Database Links |
8144794;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8729530;;6696735;;6198473;;24027187;;22770225;;2195556;;21761941;;21359215;;2026685;;19212411;;18502700;;16738792;;16566829;;16309915;;16141520;;15967795;;15919888;;15919887;;15516393;;15284236;;14992292;;14645985;;12834252;;12602499;;12297216;;12097436;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-983162;;R-HSA-983158;;R-HSA-983150;;R-HSA-73805;;R-HSA-73573;;R-HSA-70613;;R-HSA-70599;;R-HSA-70596;;R-HSA-70592;;R-HSA-70581;;R-HSA-70577;;R-HSA-5696365;;R-HSA-5691507;;R-HSA-5625029;;R-HSA-5625015;;R-HSA-428015;;R-HSA-428007;;R-HSA-427998;;R-HSA-3 |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9604;;923;;922;;920;;917;;912;;9;;858;;827;;825;;7821;;7742;;7741;;766;;572;;402;;398;;3428;;3220;;228;;1841;;1825;;150;;13905;;13450;;13449;;13448;;13447;;13446;;13435;;13434;;13284;;13275;;13274;;13244;;13216;;13138;;12820;;12819;;12418;;12417;;12390;;1 |
| SMILES |
N[C@@H](CC(O)=O)C(O)=O;; |
| Secondary ChEBI ID |
CHEBI:21247;;CHEBI:6193;;CHEBI:40853;;CHEBI:40942;;CHEBI:40913;;CHEBI:40900;; |
| Star |
3;; |
| Synonyms |
alpha-Aminosuccinic acid;;alpha-Aminosuccinate;;L-Aspartic acid;;L-Aspartate;;L-Asparaginsaeure;;L-Asparaginic acid;;L-Asparaginate;;L-Asparagic acid;;L-Asparagate;;L-Aminosuccinic acid;;L-Aminosuccinate;;L-(+)-Aspartic acid;;L-(+)-Aspartate;;H-Asp-OH;;As |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZWS9;;Q9ZWS7;;Q9ZWS6;;Q9ZWL6;;Q9ZWJ9;;Q9ZVX1;;Q9ZVD3;;Q9ZUH4;;Q9ZTP3;;Q9ZSD6;;Q9ZR14;;Q9ZNV9;;Q9ZNV8;;Q9ZNT9;;Q9ZN30;;Q9ZMX5;;Q9ZMI1;;Q9ZMF4;;Q9ZM81;;Q9ZM48;;Q9ZM13;;Q9ZLW6;;Q9ZLL9;;Q9ZLI5;;Q9ZLH6;;Q9ZLB9;;Q9ZLA9;;Q9ZL20;;Q9ZL11;;Q9ZKM6;;Q9ZK28;;Q9ZJZ7; |
| ChEBI Image |
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