KEGG   COMPOUND: C01875
Entry
C01875                      Compound                               
Name
2-Undecanone;
Undecan-2-one;
Methyl nonyl ketone;
2-Hendecanone
Formula
C11H22O
Exact mass
170.1671
Mol weight
170.2918
Structure
Reaction
R03747
Enzyme
4.1.1.56
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C01875  Undecan-2-one
Other DBs
CAS: 112-12-9
PubChem: 4989
ChEBI: 17700
LIPIDMAPS: LMFA12000002
KNApSAcK: C00030758
PDB-CCD: UOC[PDBj]
3DMET: B00364
NIKKAJI: J5.119E
KCF data

ATOM        12
            1   C1b C    23.3521  -15.1459
            2   C1b C    22.1341  -15.8419
            3   C1b C    24.5637  -15.8419
            4   C1b C    20.9224  -15.1459
            5   C1b C    25.7751  -15.1459
            6   C1b C    19.7044  -15.8419
            7   C5a C    26.9933  -15.8419
            8   C1b C    18.4928  -15.1459
            9   C1a C    26.9933  -17.5270
            10  O5a O    28.2048  -15.1459
            11  C1b C    17.2812  -15.8419
            12  C1a C    16.0632  -15.1459
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11   11  12 1

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Chemical substance (10)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Chemical reaction (2)   
   KEGG ENZYME (1)   
   KEGG REACTION (1)   
All databases (12)   

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