| Number |
qtl-m0020 |
| Declustering Potential(DP) |
60 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
136.0619 |
| Exact mass(Da) |
136.0618 |
| Accurate mass error(ppm) |
0.95 |
| Molecular formula |
C5H5N5 |
| Ionization model |
|
| Ret. Time(min) |
|
| Precursor ions(Q1) |
136.1 |
| Product ions(Q3) |
119.1 |
| Main fragments |
119.1, 109.1, 92.1, 77.1, 65.1 |
| Compound |
Adenine |
| Identification |
standard |
| class |
Vitamin |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:16708 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
608603;; |
| BioModels Database Links |
BIOMD0000000470;;BIOMD0000000469;;BIOMD0000000015;; |
| CAS Registry Numbers |
73-24-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
adenine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6.;; |
| DrugBank Database Links |
DB00173;; |
| Formulae |
C5H5N5;; |
| Gmelin Registry Numbers |
3903;; |
| INN |
|
| IUPAC Names |
9H-purin-6-amine;; |
| InChI |
InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10);; |
| InChIKey |
GFFGJBXGBJISGV-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
EC 3.5.4.2;;EC 3.2.2.9;;EC 3.2.2.7;;EC 3.2.2.4;;EC 3.2.2.30;;EC 3.2.2.16;;EC 2.7.8.37;;EC 2.7.8.25;;EC 2.4.99.17;;EC 2.4.2.7;;EC 2.4.2.57;;EC 2.4.2.52;;EC 2.4.2.28;;EC 2.4.2.1;;EC 1.5.99.12;; |
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
D00034 |
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
|
| Last Modified |
04 Apr 2016;; |
| Mass |
135.12690;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
WO2008114008;;WO2007130783;;WO2007117565;;WO2007106561;;WO2007106049;;WO2006116629;;WO2006104646;;WO2006091905;;WO2006084030;;WO2006066414;;WO2006060919;;WO2006060918;;WO2006017208;;WO2006003440;;WO2005100338;;WO2005082896;;WO2005077050;;WO2005074654;;WO2 |
| PubChem Database Links |
8144939;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
8070089;;6656991;;401462;;19212411;;17520339;;17439666;;17126311;;17052198;;16613999;;16055624;;15994977;;15715490;;15063338;;12951489;;12829005;;11985597;; |
| RESID Database Links |
|
| Reactome Database Links |
R-HSA-74213;;R-HSA-727767;;R-HSA-727749;;R-HSA-5628807;;R-HSA-1237160;;R-HSA-110246;;R-HSA-109529;;R-HSA-109527;; |
| Rhea Database Links |
RHEA:44164;;RHEA:36975;;RHEA:34679;;RHEA:33079;;RHEA:32155;;RHEA:29859;;RHEA:28719;;RHEA:27742;;RHEA:27642;;RHEA:24869;;RHEA:23688;;RHEA:20129;;RHEA:18669;;RHEA:17805;;RHEA:16609;;RHEA:15117;;RHEA:13625;;RHEA:13617;;RHEA:11852;; |
| SABIO-RK Database Links |
8825;;8119;;80;;6925;;6764;;6745;;6670;;6669;;6668;;6667;;6666;;6665;;6664;;6663;;6662;;6661;;6660;;6659;;6658;;6657;;6656;;6654;;6653;;6638;;6636;;6635;;6634;;6633;;6630;;6629;;6627;;6626;;6625;;6624;;6;;574;;5304;;342;;3057;;252;;1594;;1593;;1589;;133;; |
| SMILES |
Nc1ncnc2[nH]cnc12;; |
| Secondary ChEBI ID |
CHEBI:22236;;CHEBI:13733;;CHEBI:2470;;CHEBI:40579;; |
| Star |
3;; |
| Synonyms |
adenine;;Vitamin B4;;Adeninimine;;Adenin;;Ade;;9H-Purine-6-amine;;9H-Purin-6-ylamine;;9H-Purin-6-yl-amin;;7H-purin-6-amine;;6-Amino-Purine;;6-Amino-9H-purine;;6-Amino-7H-purine;;6-Amino-3H-purine;;6-Amino-1H-purine;;3,6-Dihydro-6-iminopurine;;1H-Purine-6- |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q9ZUX7;;Q9ZUU1;;Q9ZPR7;;Q9ZMY2;;Q9ZM60;;Q9ZLQ9;;Q9ZLL8;;Q9ZKM5;;Q9ZJP8;;Q9ZJM4;;Q9ZJJ7;;Q9ZJI7;;Q9ZJI4;;Q9ZJ27;;Q9ZED0;;Q9ZEA8;;Q9ZDV6;;Q9ZDB6;;Q9ZD37;;Q9ZCS6;;Q9Z8Z0;;Q9Z8U0;;Q9Z874;;Q9Z6Z6;;Q9Z6K0;;Q9Z452;;Q9Z1T1;;Q9YMG2;;Q9YEM5;;Q9YCX7;;Q9YAQ8;;Q9YA42; |
| ChEBI Image |
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