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> Main
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 [(3
S
)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl group attached at position 5'.
Stars
This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted acid).
(via
organic amino compound
)
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted 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
-{[(3
S
)-3-amino-4-carboxy-2-oxobutyl](hydroxy)phosphoryl}adenosine
Synonym
Source
aspartyl-phosphonate-adenosine
MetaCyc
Manual Xref
Database
CPD0-916
MetaCyc
View more database links
Citation
Type
Source
15582453
PubMed citation
Europe PMC
Last Modified
03 December 2014