KEGG   COMPOUND: C11271Help
Entry
C11271                      Compound                               

Name
n-Hexane;
Hexane
Formula
C6H14
Exact mass
86.1096
Mol weight
86.1754
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA11 Hydrocarbons
   C11271  n-Hexane
BRITE hierarchy
Other DBs
CAS: 110-54-3
PubChem: 13448
ChEBI: 29021
ChEMBL: CHEMBL15939
LIPIDMAPS: LMFA11000007
KNApSAcK: C00049006
PDB-CCD: HEX[PDBj]
3DMET: B04216
NIKKAJI: J1.977A
KCF data Show

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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