EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71169 - succinyladenosine

ChEBI IDCHEBI:71169
ChEBI Namesuccinyladenosine
Stars
DefinitionAn aspartic acid derivative that is L-aspartic acid in which one of the amine hydrogens is substituted by a 9-β-D-ribofuranosyl-9H-purin-6-yl group.
Last Modified29 September 2016
Submittermwilliams
DownloadsMolfile
FormulaC14H17N5O8
Net Charge0
Average Mass383.317
Monoisotopic Mass383.10771
SMILESO=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)O
InChIInChI=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
InChIKeyVKGZCEJTCKHMRL-VWJPMABRSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
succinyladenosine (CHEBI:71169) has functional parent adenosine (CHEBI:16335)
succinyladenosine (CHEBI:71169) has functional parent succinic acid (CHEBI:15741)
succinyladenosine (CHEBI:71169) has role metabolite (CHEBI:25212)
succinyladenosine (CHEBI:71169) is a L-aspartic acid derivative (CHEBI:83978)
succinyladenosine (CHEBI:71169) is a adenosines (CHEBI:22260)
succinyladenosine (CHEBI:71169) is a amino dicarboxylic acid (CHEBI:36164)
succinyladenosine (CHEBI:71169) is conjugate acid of succinyladenosine anion (CHEBI:133523)
Incoming Relation(s)
succinyladenosine anion (CHEBI:133523) is conjugate base of succinyladenosine (CHEBI:71169)
IUPAC Name 
(2S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-yl}amino)butanedioic acid
Synonyms  Source
6-(1,2-Dicarboxyethylamino)-9-β-D-ribofuranosylpurineHMDB
N-9-Ribofuranosyl-9H-purin-6-yl-Aspartic acidHMDB
N-(9-β-D-ribofuranosyl-9H-purin-6-yl)-L-aspartic acidChemIDplus
(S)-N-(1,2-dicarboxyethyl)-AdenosineHMDB
SuccinoadenosineHMDB
Manual XrefsDatabases
HMDB0000912HMDB
Registry NumbersSources
Reaxys:100051Reaxys
CAS:4542-23-8ChemIDplus
Citations