Detail Information

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
Reference Wishart et. al (2013)
CV(%) 173.93
H2 0.38
Agricola Citation Links
ArrayExpress Database Links
Beilstein Registry Numbers
BioModels Database Links
CAS Registry Numbers 4542-23-8;;
COMe Database Links
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
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;;
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