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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:1235 - 2-methoxy-6-(
all
-
trans
-octaprenyl)phenol
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ChEBI Name
2-methoxy-6-(
all
-
trans
-octaprenyl)phenol
ChEBI ID
CHEBI:1235
ChEBI ASCII Name
2-methoxy-6-(all-trans-octaprenyl)phenol
Definition
A 2-methoxy-6-(all-trans-polyprenyl)phenol in which the substituent at position 6 is an all-trans-octaprenyl moiety.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Molfile
Formulae
C47H72O2
C47H72O2
Net Charge
0
Average Mass
669.075
Monoisotopic Mass
668.55323
InChI
InChI=1S/C47H72O2/c1-
37(2)
19-
11-
20-
38(3)
21-
12-
22-
39(4)
23-
13-
24-
40(5)
25-
14-
26-
41(6)
27-
15-
28-
42(7)
29-
16-
30-
43(8)
31-
17-
32-
44(9)
35-
36-
45-
33-
18-
34-
46(49-
10)
47(45)
48/h18-
19,21,23,25,27,29,31,33-
35,48H,11-
17,20,22,24,26,28,30,32,36H2,1-
10H3/b38-
21+,39-
23+,40-
25+,41-
27+,42-
29+,43-
31+,44-
35+
InChIKey
MARGKPIMNMASKJ-CMAXTTDKSA-N
SMILES
OC1=C(C\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CC\C=C(\CCC=C(C)
C)
/C)
/C)
/C)
/C)
/C)
/C)
/C)
C=CC=C1OC
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
2-methoxy-6-(
all
-
trans
-octaprenyl)phenol (
CHEBI:1235
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
2-methoxy-6-(
all
-
trans
-octaprenyl)phenol (
CHEBI:1235
)
is a
2-methoxy-6-(
all
-
trans
-polyprenyl)phenol (
CHEBI:62731
)
IUPAC Name
2-
methoxy-
6-
[(2
E
,6
E
,10
E
,14
E
,18
E
,22
E
,26
E
)-
3,7,11,15,19,23,27,31-
octamethyldotriaconta-
2,6,10,14,18,22,26,30-
octaen-
1-
yl]phenol
Synonyms
Sources
2-methoxy-6-(
all
-
trans
-octaprenyl)phenol
UniProt
2-Octaprenyl-6-methoxyphenol
KEGG COMPOUND
6-methoxy-2-octaprenylphenol
ChEBI
Manual Xrefs
Databases
2-OCTAPRENYL-6-METHOXYPHENOL
MetaCyc
C05812
KEGG COMPOUND
View more database links
Citations
Types
Sources
10419476
PubMed citation
Europe PMC
8703953
PubMed citation
Europe PMC
Last Modified
24 January 2019