COMPOUND: C11271
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Entry
C11271 Compound
Name
n-Hexane;
Hexane
Formula
C6H14
Exact mass
86.1096
Mol weight
86.1754
Structure
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA11 Hydrocarbons
C11271 n-Hexane
BRITE hierarchy
Other DBs
CAS:
110-54-3
PubChem:
13448
ChEBI:
29021
LIPIDMAPS:
LMFA11000007
KNApSAcK:
C00049006
PDB-CCD:
HEX
[
PDBj
]
3DMET:
B04216
NIKKAJI:
J1.977A
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KCF data
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ATOM 6
1 C1a C 25.8486 -17.2629
2 C1b C 27.0617 -16.5646
3 C1b C 28.2749 -17.2701
4 C1b C 29.4811 -16.5718
5 C1b C 30.6943 -17.2772
6 C1a C 31.9074 -16.5789
BOND 5
1 1 2 1
2 3 4 1
3 4 5 1
4 2 3 1
5 5 6 1
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