| Number |
qtl-m1248 |
| 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) |
228 |
| Product ions(Q3) |
210.2 |
| Main fragments |
|
| Compound |
3-3-Amino-3-carboxypropyl-uridine |
| Identification |
putative |
| class |
Others |
| Organism |
|
| Reference |
|
| CV(%) |
|
| H2 |
|
| ChEBI_ID |
CHEBI:19928 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
52745-94-5;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
3-(3-amino-3-carboxypropyl)uridine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A derivative of uridine, bearing an additional 3-amino-3-carboxypropyl substituent at position 5 on the uracil ring.;; |
| DrugBank Database Links |
|
| Formulae |
C13H19N3O8;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
3-(3-amino-3-carboxypropyl)uridine;; |
| InChI |
InChI=1S/C13H19N3O8/c14-6(12(21)22)1-3-15-8(18)2-4-16(13(15)23)11-10(20)9(19)7(5-17)24-11/h2,4,6-7,9-11,17,19-20H,1,3,5,14H2,(H,21,22)/t6?,7-,9-,10-,11-/m1/s1;; |
| InChIKey |
YXNIEZJFCGTDKV-JANFQQFMSA-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 |
03 Apr 2012;; |
| Mass |
345.30530;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
135668183;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
7049245;;6190001;;4598734;;4597321;;378998;;18776434;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
NC(CCn1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O)C(O)=O;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Nucleoside X;;3-(3-amino-3-carboxypropyl)uridine;;(acp(3))u;; |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
