KEGG   COMPOUND: C12307
Entry
C12307                      Compound                               
Name
Decanal;
1-Decanal
Formula
C10H20O
Exact mass
156.1514
Mol weight
156.2652
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA06 Fatty aldehydes
   C12307  Decanal
Other DBs
CAS: 112-31-2
PubChem: 582698
ChEBI: 31457
LIPIDMAPS: LMFA06000052
KNApSAcK: C00030099 C00030804
PDB-CCD: 8YP[PDBj]
3DMET: B04449
NIKKAJI: J2.888F
KCF data

ATOM        11
            1   O4a O    17.7586  -16.2624
            2   C4a C    18.9746  -16.9553
            3   C1b C    20.1835  -16.2554
            4   C1b C    21.3995  -16.9482
            5   C1b C    22.6153  -16.2483
            6   C1b C    23.8313  -16.9411
            7   C1b C    25.0473  -16.2412
            8   C1b C    26.2631  -16.9341
            9   C1b C    27.4791  -16.2342
            10  C1b C    28.6880  -16.9270
            11  C1a C    29.9040  -16.2271
BOND        10
            1     5   6 1
            2     1   2 2
            3     6   7 1
            4     3   4 1
            5     7   8 1
            6     8   9 1
            7     4   5 1
            8     9  10 1
            9     2   3 1
            10   10  11 1

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Chemical substance (13)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (2)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   MASSBANK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (13)   

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