| Number |
qtl-m1559 |
| Declustering Potential(DP) |
|
| Collision Energy(CE) |
|
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
333.1 |
| Product ions(Q3) |
137.1 |
| Main fragments |
|
| Compound |
2'-Deoxyinosine-5'-monophosphate |
| Identification |
putative |
| class |
|
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:28806 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
3393-18-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
2'-deoxyinosine-5'-monophosphate;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A deoxyinosine phosphate that is 5'-inosinic acid in which the hydroxy group at position 2' by a hydrogen atom.;; |
| DrugBank Database Links |
|
| Formulae |
C10H13N4O7P;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
[(2R,3S,4R,5R)-3-hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate;;2'-deoxy-5'-inosinic acid;; |
| InChI |
InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1;; |
| InChIKey |
PHNGFPPXDJJADG-RRKCRQDMSA-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 |
14 Jun 2016;; |
| Mass |
332.207;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
24398016;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
98523;;23385455;;22817898;;20542141;;10684927;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-74248;;R-HSA-74207;;R-HSA-2509838;;R-HSA-2509793;;R-HSA-109470;;R-HSA-109387;; |
| Rhea Database Links |
|
| SABIO-RK Database Links |
9408;;12050;;11288;; |
| SMILES |
C1(=O)NC=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)C3;; |
| Secondary ChEBI ID |
CHEBI:837;;CHEBI:19250;;CHEBI:41998;;CHEBI:43315;;CHEBI:43384;;CHEBI:44500;;CHEBI:43389;;CHEBI:43377;; |
| Star |
3;; |
| Synonyms |
Deoxyinosine monophosphate;;9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol;;9-(2-Deoxy-5-O-phosphono-beta-delta-erythro-pentofuranosyl)-9H-purin-6-ol;;2'-deoxy-5'-inosinic acid;;2'-Deoxyinosine 5'-phosphate;;2'-Deoxyinosine 5'-monop |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9NPB1;;Q8VCE6;;P76491;;O35820;; |
| ChEBI Image |
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