CHEBI:74089 - aspartyl adenylate β-ketophosphonate isostere

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ChEBI Name aspartyl adenylate β-ketophosphonate isostere
ChEBI ID CHEBI:74089
ChEBI ASCII Name aspartyl adenylate beta-ketophosphonate isostere
Definition An organic phosphonate that is adenosine having a [(3S)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl group attached at position 5'.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H21N6O9P
Net Charge 0
Average Mass 460.33580
Monoisotopic Mass 460.11076
InChI InChI=1S/C15H21N6O9P/c16-6(1-9(23)24)7(22)3-31(27,28)29-2-8-11(25)12(26)15(30-8)21-5-20-10-13(17)18-4-19-14(10)21/h4-6,8,11-12,15,25-26H,1-3,16H2,(H,23,24)(H,27,28)(H2,17,18,19)/t6-,8+,11+,12+,15+/m0/s1
InChIKey KMYVNAQFBILXBR-WXGITVOHSA-N
SMILES N[C@@H](CC(O)=O)C(=O)CP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) has functional parent adenosine (CHEBI:16335)
aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) has role metabolite (CHEBI:25212)
aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a β-amino acid (CHEBI:33706)
aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a L-aspartic acid derivative (CHEBI:83978)
aspartyl adenylate β-ketophosphonate isostere (CHEBI:74089) is a organic phosphonate (CHEBI:37592)
IUPAC Name
5'-O-{[(3S)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl}adenosine
Synonym Source
aspartyl-phosphonate-adenosine MetaCyc
Manual Xref Database
CPD0-916 MetaCyc
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Citation Waiting for Citations Type Source
15582453 PubMed citation Europe PMC
Last Modified
03 December 2014