KEGG   COMPOUND: C13870Help
Entry
C13870                      Compound                               

Name
Tributyrin;
Glyceryl tributyrate;
Glycerol tributyrate
Formula
C15H26O6
Exact mass
302.1729
Mol weight
302.3633
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 GL  Glycerolipids
  GL03 Triradylglycerols
   GL0301 Triacylglycerols
    C13870  Tributyrin
BRITE hierarchy
Other DBs
CAS: 60-01-5
PubChem: 854115
ChEBI: 35020
ChEMBL: CHEMBL118722
NIKKAJI: J4.798H
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1b C    31.9496  -21.0316
            2   C1b C    33.1690  -21.7195
            3   C1a C    33.1847  -23.1155
            4   C7a C    31.9547  -19.6320
            5   C1b C    25.8883  -17.5170
            6   C1b C    24.6648  -16.8360
            7   C7a C    27.0992  -16.8222
            8   O7a O    28.3107  -17.5243
            9   O6a O    27.1016  -15.4191
            10  C1b C    33.1677  -13.3322
            11  C1b C    34.3791  -12.6301
            12  C1a C    34.3735  -11.2299
            13  O7a O    31.9518  -15.4271
            14  C7a C    33.1627  -14.7325
            15  O6a O    34.3742  -15.4346
            16  C1b C    29.5270  -16.8248
            17  C1c C    30.7385  -17.5269
            18  O7a O    30.7390  -18.9235
            19  C1b C    31.9540  -16.8260
            20  O6a O    33.1668  -18.9261
            21  C1a C    23.4494  -17.5226
BOND        20
            1     7   9 2
            2     7   5 1
            3     5   6 1
            4    10  11 1
            5    11  12 1
            6     4   1 1
            7     2   3 1
            8    13  14 1
            9    14  15 2
            10   14  10 1
            11   16  17 1
            12   17  18 1
            13   18   4 1
            14    7   8 1
            15   17  19 1
            16    1   2 1
            17    4  20 2
            18   19  13 1
            19   16   8 1
            20    6  21 1

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