Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 19:33:58 UTC
Update Date2022-08-31 06:17:51 UTC
Metabolite IDMMDBc0001283
Metabolite Identification
Common NameCt 6 A
Descriptioncyclic t(6)A, also known as CT(6)a, belongs to the class of organic compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Based on a literature review very few articles have been published on cyclic t(6)A.
Structure
Synonyms
ValueSource
CT(6)aChEBI
Cyclic N(6)-(L-threonylcarbamoyl)adenosineChEBI
Cyclic threonylcarbamoyladenosineChEBI
Cyclic t(6)aChEBI
Molecular FormulaC15H18N6O7
Average Mass394.344
Monoisotopic Mass394.123696944
IUPAC Name(4S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-4-[(1R)-1-hydroxyethyl]-4,5-dihydro-1,3-oxazol-5-one
Traditional Name(4S)-2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl}amino)-4-[(1R)-1-hydroxyethyl]-4H-1,3-oxazol-5-one
CAS Registry NumberNot Available
SMILES
[H][C@](C)(O)[C@]1([H])N=C(NC2=C3N=CN(C3=NC=N2)[C@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@@]2([H])O)OC1=O
InChI Identifier
InChI=1S/C15H18N6O7/c1-5(23)7-14(26)28-15(19-7)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)27-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,16,17,19,20)/t5-,6-,7+,9-,10-,13-/m1/s1
InChI KeyNIMLOKNRDJCYPO-DWVDDHQFSA-N