| Number |
mr1266 |
| Declustering Potential(DP) |
50 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
|
| Exact mass(Da) |
|
| Accurate mass error(ppm) |
|
| Molecular formula |
|
| Ionization model |
|
| Ret. Time(min) |
9.40 |
| Precursor ions(Q1) |
146.1 |
| Product ions(Q3) |
118.1 |
| Main fragments |
118.1, 105.0, 91.1 |
| Compound |
Indole-3-carboxaldehyde |
| Identification |
standard |
| class |
Amino acid derivative |
| Organism |
|
| Reference |
|
| CV(%) |
64.27 |
| H2 |
0.41 |
| ChEBI_ID |
CHEBI:17596 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
624889;; |
| BioModels Database Links |
BIOMD0000000015;; |
| CAS Registry Numbers |
58-63-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
inosine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N9-glycosidic bond.;; |
| DrugBank Database Links |
|
| Formulae |
C10H12N4O5;; |
| Gmelin Registry Numbers |
489332;; |
| INN |
inosinum;;inosine;;inosina;; |
| IUPAC Names |
inosine;;9-(beta-D-ribofuranosyl)-9H-purin-6-ol;;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol;; |
| InChI |
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1;; |
| InChIKey |
UGQMRVRMYYASKQ-KQYNXXCUSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.5.4.4;;EC 3.2.2.2;;EC 3.1.3.99;;EC 2.7.1.73;;EC 2.4.2.1;;EC 1.1.3.28;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00054 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
27 Jan 2016;; |
| Mass |
268.22610;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008154601;;WO2008141079;;WO2008120205;;WO2007133865;;WO2007133749;;WO2007117686;;WO2007112986;;WO2007087451;;WO2006133326;;WO2006093987;;WO2006091905;;WO2005063751;;WO2005054430;;WO2005039587;;US2008287471;;US2007265224;;US2007259827;;US2007258938;;US2 |
| PubChem Database Links |
8144594;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
9663253;;9607216;;9129323;;8597780;;8595732;;8241644;;7614924;;7090336;;6681617;;6656991;;3981053;;3698269;;22770225;;21330412;;19212411;;16139832;;15976325;;15882454;;15493114;;12865945;;12451183;;11912550;;10917906;;10499868;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-74248;;R-HSA-74242;;R-HSA-74241;;R-HSA-727767;;R-HSA-727749;;R-HSA-5693346;;R-HSA-5628807;;R-HSA-2162066;;R-HSA-112033;;R-HSA-109539;;R-HSA-109538;;R-HSA-109536;;R-HSA-109534;;R-HSA-109529;;R-HSA-109527;;R-HSA-109470;;R-HSA-109387;;R-HSA-109278;; |
| Rhea Database Links |
RHEA:33095;;RHEA:29963;;RHEA:29211;;RHEA:28651;;RHEA:27718;;RHEA:27646;;RHEA:24408;;RHEA:23036;;RHEA:21140;;RHEA:16657;; |
| SABIO-RK Database Links |
81;;80;;574;;195;;1933;;13645;;134;;13271;;12912;;125;;124;;11899;; |
| SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12;; |
| Secondary ChEBI ID |
CHEBI:24841;;CHEBI:14456;;CHEBI:5927;;CHEBI:44407;; |
| Star |
3;; |
| Synonyms |
inosine;;i;;hypoxanthosine;;hypoxanthine D-riboside;;beta-delta-Ribofuranoside hypoxanthine-9;;beta-Inosine;;beta-D-Ribofuranoside hypoxanthine-9;;Trophicardyl;;Selfer;;Ribonosine;;Pantholic-L;;Panholic-L;;Oxiamin;;Iso-prinosine;;Inosin;;Inosie;;Ino;;Indo |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZL14;;Q9ZKZ2;;Q9ZCC6;;Q9Z244;;Q9X7T2;;Q9W719;;Q9VMW7;;Q9V3R6;;Q9UY49;;Q9UU89;;Q9UTG1;;Q9URQ3;;Q9UA35;;Q9SJM7;;Q9SA34;;Q9P7N4;;Q9P2T1;;Q9NZK5;;Q9NJD8;;Q9L6B7;;Q9KNI7;;Q9KMW9;;Q9KI10;;Q9KH33;;Q9KGN8;;Q9JHI2;;Q9HQU4;;Q9HLK8;;Q9HAS3;;Q9GZH3;;Q9GYG4;;Q9ERH8; |
| ChEBI Image |
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