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ChEBI
> Main
CHEBI:37666 - 5'-acetylphosphoadenosine
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ChEBI Ontology
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ChEBI Name
5'-acetylphosphoadenosine
ChEBI ID
CHEBI:37666
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2405, CHEBI:1951
Supplier Information
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Formula
C12H16N5O8P
Net Charge
0
Average Mass
389.25810
Monoisotopic Mass
389.07365
InChI
InChI=1S/C12H16N5O8P/c1-
5(18)
25-
26(21,22)
23-
2-
6-
8(19)
9(20)
12(24-
6)
17-
4-
16-
7-
10(13)
14-
3-
15-
11(7)
17/h3-
4,6,8-
9,12,19-
20H,2H2,1H3,(H,21,22)
(H2,13,14,15)
/t6-
,8-
,9-
,12-
/m1/s1
InChIKey
UBPVOHPZRZIJHM-WOUKDFQISA-N
SMILES
CC(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5'-acetylphosphoadenosine (
CHEBI:37666
)
has role
human metabolite (
CHEBI:77746
)
5'-acetylphosphoadenosine (
CHEBI:37666
)
has role
mouse metabolite (
CHEBI:75771
)
5'-acetylphosphoadenosine (
CHEBI:37666
)
is a
5'-acylphosphoadenosine (
CHEBI:16406
)
IUPAC Name
5'-
O
-[acetoxy(hydroxy)phosphoryl]adenosine
Synonyms
Sources
5'-Acetylphosphoadenosine
KEGG COMPOUND
5'-Acetylphosphoadenosine
KEGG COMPOUND
Acetyl adenylate
KEGG COMPOUND
Manual Xref
Database
C05993
KEGG COMPOUND
View more database links
Registry Number
Type
Source
13015-87-7
CAS Registry Number
KEGG COMPOUND
Last Modified
27 January 2016