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CHEBI:133071 - N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate

ChEBI IDCHEBI:133071
ChEBI NameN-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate
Stars
ASCII NameN-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonate
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified18 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H19N6O8
Net Charge-1
Average Mass411.351
Monoisotopic Mass411.12699
SMILESC[C@@H](O)[C@H](NC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)[O-]
InChIInChI=1S/C15H20N6O8/c1-5(23)7(14(26)27)19-15(28)20-11-8-12(17-3-16-11)21(4-18-8)13-10(25)9(24)6(2-22)29-13/h3-7,9-10,13,22-25H,2H2,1H3,(H,26,27)(H2,16,17,19,20,28)/p-1/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKeyUNUYMBPXEFMLNW-DWVDDHQFSA-M
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (26337258)
Homo sapiens (ncbitaxon:9606) - PubMed (22378793)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate (CHEBI:133071) has role Escherichia coli metabolite (CHEBI:76971)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate (CHEBI:133071) has role human metabolite (CHEBI:77746)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate (CHEBI:133071) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate (CHEBI:133071) is conjugate base of N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440)
Incoming Relation(s)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) is conjugate acid of N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonate (CHEBI:133071)
IUPAC Name 
N-{[(1S,2R)-1-carboxylato-2-hydroxypropyl]carbamoyl}adenosine
Synonyms  Source
t6a(1−)ChEBI
N6-threonylcarbamoyladenosine(1−)ChEBI
N6-carbamoyl-L-threonyladenosine(1−)ChEBI
N6-carbamoylthreonyladenosine(1−)ChEBI
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]-L-threonateChEBI