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Substance
ID:1820610
Structure
Similarity
Functional Group
Text
ID:2178
octane
Chemical Entities of Biological Interest
ID: CHEBI:17590
Names and Identifiers
IUPAC name
octane
IUPAC Traditional name
octane
Synonyms
octane
CH3-[CH2]6-CH3
N-OCTANE
Octane
Oktan
n-Octane
n-Oktan
octane
Registration numbers
Beilstein Number
1696875
CAS Number
111-65-9
Gmelin ID
82412
DrugBank ID
DB02440
KEGG ID
C01387
PubChem CID
356
Wikipedia Title
Octane
LIPID MAPS Instance
LMFA11000002
MetaCyc Database
CPD-148
PubMed Citation Links
11255151
24354334
Reaxys Registry
1696875
ACToR Database
111-65-9
50985-84-7
68553-14-0
BKMS React Database
32341
BRENDA Database
3.1.1.5
1.14.15.3
4.1.99.5
1.14.13.25
1.14.14.1
BRENDA Ligand Database
32341
CHEMBL
CHEMBL134886
CompTox Database
DTXSID0026882
MetaboLights Database
MTBLS867
Protein Data Bank
1apm
1brr
1cwq
1iek
1iey
1jbp
1jlu
1k9q
1kpl
1re8
1sx6
1xji
1y5m
2euk
2eum
2evd
2evl
2gfc
2gsk
2j58
2vdf
2wjq
2wjr
2xe5
2ynk
3a7a
3dsi
3dsj
3dsk
3has
3rhw
3ri5
3ria
3rif
4dx5
4fqe
4h13
4h44
4hyx
4i35
4i7z
4ogq
4pr7
5aji
5awz
5b2n
5b34
5b35
5b6v
5b6w
5b6x
5b6y
5b6z
5fp2
5h2h
5h2i
5h2j
5h2k
5h2l
5h2m
5h2n
5h2o
5h2p
5jmn
5ldv
5t6q
5xdn
5xdo
6c93
6euq
6ga1
6ga2
6ga3
6ga4
6ga5
6ga6
6ga7
6ga8
6ga9
6gaa
6gab
6gac
6gad
6gae
6gaf
6gag
6gah
6gai
6jo0
6lm0
6lm1
6lpj
6lpk
6lpl
6nle
6plr
6q4n
6q4o
6q4p
6uwz
6v36
6v3c
6v3i
6w7b
6w7c
6w7d
6w7e
6w82
6w83
6w84
6w85
6w86
6w87
6w88
6w8c
6wu1
6wu2
6ww5
6zo5
6zo6
6zo8
6zo9
6zoa
6zob
6zoc
6zog
7a5v
7ldd
7lde
7lep
7lgu
7lgw
7mly
7n9k
7o82
7ouk
7oum
7pbz
7qn5
7qne
7sk0
7sk1
7vgv
7vso
SureChEMBL Database
SCHEMBL3298
UniProt Database
P33271
Q0VKZ3
Q9WWW6
O31250
Q8SPK0
P20816
P14579
P14580
P14581
O88833
P08516
Q02928
O35728
P20817
P12691
Q9I0R2
Q0VTH3
Q6H941
Q5TCH4
Q8SPK1
IntEnz Database
EC 1.14.15.3
Rhea Database
RHEA:19341
HMDB Database
HMDB0001485
PDBeChem Database
OCT
NMRShiftDB Database
10016354
Patent number
EP1669349
EP1897874
EP1935884
US2006004038
US2006135548
US2006155119
EP0784051
EP0796845
EP0911338
EP0926136
EP0970953
EP1110959
WO2006029811
WO2006040352
WO2006050458
WO2006071353
WO2006071354
WO2006082495
WO2007097593
WO2007113650
WO2007121482
WO2007123789
WO2008107799
WO2008129562
EP1113012
EP1134218
EP1180516
EP1180517
EP1227089
EP1283204
EP1288213
EP1327633
EP1413553
EP1422213
EP1454899
EP1604975
EP1623740
EP1666476
EP1775300
EP1803714
EP1882691
EP1982689
GB2208510
GB2231048
GB2380733
GB2383581
US2002019521
US2003064131
US2003065037
US2003069269
US2003118715
US2005107454
US2005118691
US2005154057
US2005171374
US2006035940
US2006074231
US2006148892
US2006160903
US2006246557
US2007049563
US2007189998
US2007189999
US2007203195
US2007225353
US2007244167
US2007249660
US2007276042
US2008234382
WO2005000842
WO2005002519
WO2005003114
WO2005005407
WO2005010028
WO2005016878
WO2005016884
WO2005021495
WO2005023758
WO2005023763
WO2005026095
WO2005028477
WO2005030711
WO2005037280
WO2005037784
WO2005037821
WO2005037832
WO2005042542
WO2005047249
WO2005056066
WO2005063680
WO2005066167
WO2005070909
WO2005074933
WO2005075472
WO2005077899
WO2005089353
WO2005090342
WO2005100313
WO2005120707
WO2005121115
WO2006005980
WO2006012395
WO2006012441
GeneOntology Database
GO:0018939
UM-BBD compID
c0044
CHEBI ID
CHEBI:17590
CHEBI:44621
CHEBI:7723
CHEBI:14680
CHEBI:25645
CHEBI:25465
PubChem SID
8144086
Properties
No Data Available
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Molecule Details
A straight chain alkane composed of 8 carbon atoms.
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
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