Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:17433 - queuine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
queuine
ChEBI ID
CHEBI:17433
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:26487, CHEBI:8709, CHEBI:14998
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C12H15N5O3
Net Charge
0
Average Mass
277.27940
Monoisotopic Mass
277.11749
InChI
InChI=1S/C12H15N5O3/c13-
12-
16-
10-
8(11(20)
17-
12)
5(4-
15-
10)
3-
14-
6-
1-
2-
7(18)
9(6)
19/h1-
2,4,6-
7,9,14,18-
19H,3H2,(H4,13,15,16,17,20)
/t6-
,7-
,9+/m0/s1
InChIKey
WYROLENTHWJFLR-ACLDMZEESA-N
SMILES
Nc1nc2[nH]cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c2c(=O)[nH]1
Metabolite of Species
Details
Escherichia coli
(NCBI:txid562)
See:
PubMed
Roles Classification
Biological Role
(s):
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
queuine (
CHEBI:17433
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
queuine (
CHEBI:17433
)
is a
pyrrolopyrimidine (
CHEBI:38670
)
queuine (
CHEBI:17433
)
is conjugate base of
queuine(1+) (
CHEBI:77674
)
Incoming
epoxyqueuine (
CHEBI:64129
)
has functional parent
queuine (
CHEBI:17433
)
queuine(1+) (
CHEBI:77674
)
is conjugate acid of
queuine (
CHEBI:17433
)
IUPAC Name
2-
amino-
5-
{[(1
S
,4
S
,5
R
)-
4,5-
dihydroxycyclopent-
2-
en-
1-
ylamino]methyl}-
3,7-
dihydro-
4
H
-
pyrrolo[2,3-
d
]pyrimidin-
4-
one
Synonyms
Sources
7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine
ChEBI
Base Q
KEGG COMPOUND
Queuine
KEGG COMPOUND
queuine
UniProt
Manual Xrefs
Databases
C01449
KEGG COMPOUND
DB02245
DrugBank
QEI
PDBeChem
QUEUINE
MetaCyc
View more database links
Registry Number
Type
Source
72496-59-4
CAS Registry Number
KEGG COMPOUND
Last Modified
23 February 2023