CHEBI:21440 - N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine
ChEBI ID CHEBI:21440
ChEBI ASCII Name N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine
Definition An N-(adenosin-N6-ylcarbonyl)threonine in which the threonine portion has L-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H20N6O8
Net Charge 0
Average Mass 412.355
Monoisotopic Mass 412.134
InChI InChI=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)/t5-,6-,7+,9-,10-,13-/m1/s1
InChIKey UNUYMBPXEFMLNW-DWVDDHQFSA-N
SMILES C1(=NC=NC=2N(C=NC12)[C@@H]3O[C@@H]([C@H]([C@H]3O)O)CO)NC(N[C@H](C(O)=O)[C@@H](C)O)=O
Metabolite of Species Details
Escherichia coli (NCBI:txid562) See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) has functional parent adenosine (CHEBI:16335)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) has role Escherichia coli metabolite (CHEBI:76971)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) has role human metabolite (CHEBI:77746)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) is a N-(adenosin-N6-ylcarbonyl)threonine (CHEBI:36989)
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]threonine (CHEBI:21440) is a L-threonine derivative (CHEBI:84189)
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)
Incoming 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)
IUPAC Name
N-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}adenosine
Synonyms Sources
N(6)-(N-Threonylcarbonyl)adenosine HMDB
N-(Purin-6-ylcarbamoyl)-L-threonine riboside HMDB
N-[(9-β-D-ribofuranosylpurin-6-yl)carbamoyl]-L-threonine HMDB
N6-Carbamoyl-L-threonyladenosine HMDB
N6-Carbamoylthreonyladenosine HMDB
N6-Threonylcarbamoyladenosine HMDB
T6a HMDB
t6a HMDB
Manual Xref Database
HMDB0041623 HMDB
View more database links
Registry Numbers Types Sources
23417855 Reaxys Registry Number Reaxys
24719-82-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22378793 PubMed citation Europe PMC
23258706 PubMed citation Europe PMC
23945934 PubMed citation Europe PMC
25578970 PubMed citation Europe PMC
26215455 PubMed citation Europe PMC
26337258 PubMed citation Europe PMC
26516084 PubMed citation Europe PMC
27302132 PubMed citation Europe PMC
Last Modified
18 August 2016