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Substance
ID:1820599
Structure
Similarity
Functional Group
Text
ID:1668
toluene
Chemical Entities of Biological Interest
ID: CHEBI:17578
Names and Identifiers
IUPAC Traditional name
toluene
IUPAC name
toluene
Synonyms
toluene
TOLUENE
Toluen
Toluene
Toluol
methylbenzene
phenylmethane
toluene
Registration numbers
KEGG ID
C01455
Beilstein Number
635760
CAS Number
108-88-3
DrugBank ID
DB01900
PubChem CID
1140
Wikipedia Title
Toluene
PubMed Citation Links
18832024
18397809
11991009
11846266
11314682
11182169
15193425
15015825
15567510
15119846
15796064
15019953
14512097
14559343
14605898
19969016
19261054
19825861
19635754
19928203
19429395
19765629
19384711
17725881
17497535
17145141
17175136
16601996
16316648
12784113
12062755
12237258
12876426
12213539
15695158
16348226
15542760
21802510
21731073
20837561
20347282
21430649
21655021
21840036
Reaxys Registry
635760
ACToR Database
3101-08-4
108-88-3
50643-04-4
BKMS React Database
49454
BRENDA Database
1.17.99.2
3.4.21.62
3.1.1.20
3.1.3.8
3.5.1.11
1.1.3.6
3.2.1.1
2.4.1.19
2.6.1.B16
3.5.5.7
4.1.2.13
3.1.1.8
3.1.1.1
3.4.21.1
3.1.1.73
3.2.1.78
3.5.5.1
1.1.1.1
1.1.3.7
3.2.1.14
3.2.1.4
1.10.3.2
1.13.12.5
2.6.3.1
3.1.8.1
3.1.1.81
3.2.1.B1
1.14.13.163
1.14.13.236
1.14.13.7
1.14.12.18
4.1.99.11
4.1.1.119
1.14.12.3
1.14.12.11
1.14.13.243
1.1.1.2
3.4.21.4
1.14.13.25
1.14.13.69
1.14.14.1
1.11.2.1
1.13.11.2
1.14.15.26
1.14.12.26
BRENDA Ligand Database
49454
CHEMBL
CHEMBL9113
CompTox Database
DTXSID7021360
MetaboLights Database
MTBLS49
MTBLS1918
MTBLS612
MTBLS673
MTBLS804
MTBLS760
MTBLS2871
MTBLS2878
MTBLS2406
MTBLS1757
MTBLS379
MTBLS3854
MTBLS392
MTBLS3750
Protein Data Bank
1jlx
1r1x
1yzi
2dn1
2vrl
3d17
3d7o
3en1
3guk
3hat
3onz
3p5q
4i7k
4n8t
4ni0
4ni1
4w53
4zbv
5bwe
5e6e
5hwv
5tds
5tdt
5xoo
7l39
7l3a
SABIO-RK Database
6901
10276
SureChEMBL Database
SCHEMBL1
UniProt Database
A5W4F2
P0C618
A5W4F1
P0C619
O87943
O87944
O87942
O87941
Q8VVE4
Q9KJC3
Q9KJC1
P0C069
P0C071
P0C070
Q8KIY1
Q8KR08
Q00457
Q9KJC2
O87940
O87939
Q00456
Q00458
Q00459
Q00460
Q03304
Q3LWR6
A5W4E2
I7CA98
A5W4E9
P0C621
A5W4F0
P0C620
P13859
P13453
P23133
P23149
A5W4E3
E0X9C7
Q01468
Q8RQD2
P21394
Q05092
Q05335
Q04713
P07859
Q5P5G4
Q5P5G5
Q5P5G6
Q5P5G2
P94681
P94682
Q9AHG1
Q9KJE9
Q9KJE8
B9W4V6
P51018
P51019
O31099
O31101
Q9Z3Z9
Q88N30
Q9WWZ9
O52248
P49172
P49155
P06622
Q04285
P27887
P21395
Q04710
P23099
P23100
P94680
Q9AHG2
Q9KJF0
O31100
P94679
Q9AHG3
Q88N31
Q88N32
Q9WWZ8
Q9KWV5
Q9KWV4
Q9KWV3
Q93PU5
Q93PU4
Q93PU3
Q9AIU0
Q93PU6
Q93PU7
P07771
A4IT51
Q8RWE8
Q88E10
IntEnz Database
EC 1.14.13.243
EC 1.14.12.11
EC 1.14.13.236
EC 1.14.15.26
EC 4.1.1.119
EC 4.1.99.11
Rhea Database
RHEA:59976
RHEA:20349
RHEA:16737
RHEA:41380
RHEA:51592
RHEA:10416
PDBeChem Database
MBN
NMRShiftDB Database
10008613
Patent number
EP1787980
EP1792888
EP1797871
EP1797875
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EP1589008
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EnzymePortal Database
O87942
A5W4F1
P0C618
A5W4F2
O87944
O87943
P0C619
GeneOntology Database
GO:0042203
GO:0046252
GO:0018970
GO:1901424
BindingDB Database
50008558
Gmelin ID
2456
UM-BBD compID
c0114
CHEBI ID
CHEBI:17578
CHEBI:44023
CHEBI:9624
CHEBI:15248
CHEBI:27022
PubChem SID
8144094
Properties
No Data Available
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Molecule Details
The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent.
Molecular Spectra
No Data Available
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References
No Data Available
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Names and Identifiers
Registration numbers
Properties
Molecule Details
Molecular Spectra
References