| Number |
qtl-m1551 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
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| Observed mass(Da) |
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| Exact mass(Da) |
|
| Accurate mass error(ppm) |
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| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
332.1 |
| Product ions(Q3) |
136.1 |
| Main fragments |
|
| Compound |
2'-Deoxyadenosine-5'-monophosphate |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:58245 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
|
| Beilstein Registry Numbers |
3573917;; |
| BioModels Database Links |
BIOMD0000000473;;BIOMD0000000472;;BIOMD0000000471;; |
| CAS Registry Numbers |
5704-05-2;; |
| COMe Database Links |
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| ChEBI ID |
|
| ChEBI Name |
dAMP(2-);; |
| Charge |
-2;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An organophosphate oxoanion that is the dianion of 2'-deoxyadenosine 5'-monophosphate arising from deprotonation of both OH groups of the phosphate.;; |
| DrugBank Database Links |
|
| Formulae |
C10H12N5O6P;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
2'-deoxy-5'-O-phosphonatoadenosine;; |
| InChI |
InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/p-2/t5-,6+,7+/m0/s1;; |
| InChIKey |
KHWCHTKSEGGWEX-RRKCRQDMSA-L;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.6.1.19;;EC 2.7.4.11;;EC 2.7.1.76;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
21 Jan 2016;; |
| Mass |
329.20590;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
99319350;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
|
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
RHEA:29371;;RHEA:28334;;RHEA:23452;;RHEA:23100;; |
| SABIO-RK Database Links |
|
| SMILES |
Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
dAMP;;2'-deoxyadenosine 5'-monophosphate;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9Y6K8;;Q9Y3D8;;Q9WUS0;;Q9WUR9;;Q9KR69;;Q9JM14;;Q9D2H2;;Q9CKB7;;Q96MA6;;Q96M32;;Q95JP6;;Q920P5;;Q8ZQ34;;Q8Z7N0;;Q8YBP3;;Q8X554;;Q8TCD5;;Q8CVR2;;Q8CVG5;;Q83IN1;;Q811A2;;Q7Y4Y9;;Q7MD39;;Q7CI10;;Q74HC3;;Q6P618;;Q68FP8;;Q66BP2;;Q5TCS8;;Q5R421;;Q5M7G4;;Q5JFM9; |
| ChEBI Image |
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