Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:54:44 UTC
Update Date2022-08-31 18:26:19 UTC
Metabolite IDMMDBc0031914
Metabolite Identification
Common NameL-Threonylcarbamoyladenylate
DescriptionA threonine derivative that is L-threonine in which one of the amino hydrogens is substituted by and adenyloxycarbonyl group
Structure
Synonyms
ValueSource
L-Threonylcarbamoyl-AMPChEBI
N-(Adenyloxycarbonyl)-L-threnineChEBI
TC-AMPChEBI
L-Threonylcarbamoyladenylic acidGenerator
Molecular FormulaC15H21N6O11P
Average Mass492.3346
Monoisotopic Mass492.100592056
IUPAC Name(2S,3R)-2-({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)methylidene}amino)-3-hydroxybutanoic acid
Traditional Name(2S,3R)-2-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)(hydroxy)methylidene]amino}-3-hydroxybutanoic acid
CAS Registry NumberNot Available
SMILES
[H][C@](C)(O)[C@]([H])(N=C(O)OP(O)(=O)OC[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O
InChI Identifier
InChI=1S/C15H21N6O11P/c1-5(22)7(14(25)26)20-15(27)32-33(28,29)30-2-6-9(23)10(24)13(31-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-7,9-10,13,22-24H,2H2,1H3,(H,20,27)(H,25,26)(H,28,29)(H2,16,17,18)/t5-,6-,7+,9-,10-,13-/m1/s1
InChI KeyGHLUPQUHEIJRCU-DWVDDHQFSA-N