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ChEBI
> Main
CHEBI:3110 - biotinyl-5'-AMP
Main
ChEBI Ontology
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ChEBI Name
biotinyl-5'-AMP
ChEBI ID
CHEBI:3110
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
ZINC000008551918
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Formula
C20H28N7O9PS
Net Charge
0
Average Mass
573.51786
Monoisotopic Mass
573.14068
InChI
InChI=1S/C20H28N7O9PS/c21-
17-
14-
18(23-
7-
22-
17)
27(8-
24-
14)
19-
16(30)
15(29)
10(35-
19)
5-
34-
37(32,33)
36-
12(28)
4-
2-
1-
3-
11-
13-
9(6-
38-
11)
25-
20(31)
26-
13/h7-
11,13,15-
16,19,29-
30H,1-
6H2,(H,32,33)
(H2,21,22,23)
(H2,25,26,31)
/t9-
,10+,11-
,13-
,15+,16+,19+/m0/s1
InChIKey
UTQCSTJVMLODHM-RHCAYAJFSA-N
SMILES
[H]
[C@]
12CS[C@@H]
(CCCCC(=O)
OP(O)
(=O)
OC[C@H]
3O[C@H]
([C@H]
(O)
[C@@H]
3O)
n3cnc4c(N)
ncnc34)
[C@@]
1([H]
)
NC(=O)
N2
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Source: BioModels - MODEL1507180067 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
biotinyl-5'-AMP (
CHEBI:3110
)
has functional parent
adenosine 5'-monophosphate (
CHEBI:16027
)
biotinyl-5'-AMP (
CHEBI:3110
)
has functional parent
biotin (
CHEBI:15956
)
biotinyl-5'-AMP (
CHEBI:3110
)
has role
human metabolite (
CHEBI:77746
)
biotinyl-5'-AMP (
CHEBI:3110
)
has role
mouse metabolite (
CHEBI:75771
)
biotinyl-5'-AMP (
CHEBI:3110
)
is a
purine ribonucleoside 5'-monophosphate (
CHEBI:37021
)
biotinyl-5'-AMP (
CHEBI:3110
)
is conjugate acid of
biotinyl-5'-AMP(1−) (
CHEBI:62414
)
Incoming
biotinyl-5'-AMP(1−) (
CHEBI:62414
)
is conjugate base of
biotinyl-5'-AMP (
CHEBI:3110
)
IUPAC Name
5'-
O-
[hydroxy({5-
[(3a
S
,4
S
,6a
R
)-
2-
oxohexahydro-
1
H
-
thieno[3,4-
d
]imidazol-
4-
yl]pentanoyl}oxy)phosphoryl]adenosine
Synonym
Source
Biotinyl-5'-AMP
KEGG COMPOUND
Manual Xref
Database
C05921
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20733000
Reaxys Registry Number
Reaxys
Last Modified
07 March 2016