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CHEBI:79030 - S-adenosyl-3-thiopropylamine

ChEBI IDCHEBI:79030
ChEBI NameS-adenosyl-3-thiopropylamine
Stars
ASCII NameS-adenosyl-3-thiopropylamine
DefinitionA thioadenosine that is adenosine in which the hydroxy group at C-5' is replaced by a 3-aminopropyl group.
Last Modified11 November 2014
SubmitterSteve
DownloadsMolfile
FormulaC13H20N6O3S
Net Charge0
Average Mass340.409
Monoisotopic Mass340.13176
SMILESNCCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1
InChIKeyFUSRAALGPJJIRO-QYVSTXNMSA-N
Species of MetaboliteComponentSourceComments
Ariopsis felis (ncbitaxon:75286) - PubMed (942371)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
S-adenosyl-3-thiopropylamine (CHEBI:79030) is a organic sulfide (CHEBI:16385)
S-adenosyl-3-thiopropylamine (CHEBI:79030) is a primary amino compound (CHEBI:50994)
S-adenosyl-3-thiopropylamine (CHEBI:79030) is a thioadenosine (CHEBI:26953)
IUPAC Name 
5'-S-(3-aminopropyl)-5'-thioadenosine
Manual XrefsDatabases
DSHPDBeChem
Registry NumbersSources
Reaxys:577457Reaxys
CAS:53186-57-5ChemIDplus
Citations