| Number |
mr1397 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
384.1151 |
| Exact mass(Da) |
384.1150 |
| Accurate mass error(ppm) |
0.30 |
| Molecular formula |
C14H17N5O8 |
| Ionization model |
|
| Ret. Time(min) |
5.18 |
| Precursor ions(Q1) |
384.1151 |
| Product ions(Q3) |
252.0 |
| Main fragments |
252.0, 162.2, 136.2, 148.0 |
| Compound |
Succinyladenosine |
| Identification |
putative |
| class |
Nucleic acid derivative |
| Organism |
|
| Reference |
Wishart et. al (2013) |
| CV(%) |
173.93 |
| H2 |
0.38 |
| ChEBI_ID |
CHEBI:71169 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
4542-23-8;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
succinyladenosine;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
An aspartic acid derivative that is L-aspartic acid in which one of the amine hydrogens is substituted by a 9-beta-D-ribofuranosyl-9H-purin-6-yl group.;; |
| DrugBank Database Links |
|
| Formulae |
C14H17N5O8;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-yl}amino)butanedioic acid;; |
| InChI |
InChI=1S/C14H17N5O8/c20-2-6-9(23)10(24)13(27-6)19-4-17-8-11(15-3-16-12(8)19)18-5(14(25)26)1-7(21)22/h3-6,9-10,13,20,23-24H,1-2H2,(H,21,22)(H,25,26)(H,15,16,18)/t5-,6+,9+,10+,13+/m0/s1;; |
| InChIKey |
VKGZCEJTCKHMRL-VWJPMABRSA-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 |
23 Oct 2015;; |
| Mass |
383.31350;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
160655930;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
6150139;;2910580;;22770225;;15902552;;15571235;;10102915;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H](CC(O)=O)C(O)=O)ncnc12;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
Succinoadenosine;;N-9-Ribofuranosyl-9H-purin-6-yl-Aspartic acid;;N-9-Ribofuranosyl-9H-purin-6-yl-Aspartate;;N-(9-beta-delta-Ribofuranosyl-9H-purin-6-yl)-L-Aspartic acid;;N-(9-beta-delta-Ribofuranosyl-9H-purin-6-yl)-L-Aspartate;;N-(9-beta-D-ribofuranosyl-9 |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
Q8HXY5;;Q60Q90;;Q21774;;P54822;;P30566;;P21265;;A3KN12;; |
| ChEBI Image |
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