KEGG   COMPOUND: C11678
Entry
C11678                      Compound                               
Name
Dialdehyde
Formula
C21H24N2O4
Exact mass
368.1736
Mol weight
368.43
Structure
Reaction
R05844 R05845
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Module
M00981  Geissoschizine biosynthesis, tryptophan => geissoschizine
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11678  Dialdehyde
Other DBs
CAS: 85955-83-5
PubChem: 13843
ChEBI: 4484
NIKKAJI: J2.775.793F
KCF data

ATOM        27
            1   C1y C    27.8209  -15.9276
            2   N1x N    29.0189  -15.2346
            3   C1x C    29.0179  -13.8627
            4   C1x C    27.8325  -13.1708
            5   C8y C    26.6987  -15.2263
            6   C8y C    26.6406  -13.8511
            7   N4x N    25.4396  -15.9178
            8   C8y C    24.3185  -15.2058
            9   C8y C    24.2671  -13.8347
            10  C8x C    23.0927  -13.1400
            11  C8x C    21.8997  -13.8025
            12  C8x C    21.8813  -15.1737
            13  C8x C    23.0557  -15.8825
            14  C1b C    27.8139  -17.3302
            15  C1c C    29.0260  -18.0342
            16  C2c C    29.0189  -19.4369
            17  C1c C    30.2453  -17.3424
            18  C2b C    31.4504  -18.0465
            19  C7a C    27.7997  -20.1356
            20  C2b C    30.2312  -20.1480
            21  O1a O    30.2241  -21.5506
            22  O7a O    27.7928  -21.5384
            23  O6a O    26.5876  -19.4248
            24  C4a C    30.2524  -15.9398
            25  O4a O    31.4645  -15.2410
            26  C2a C    31.4433  -19.4491
            27  C1a C    26.5736  -22.2301
BOND        29
            1    13   8 1
            2     1  14 1
            3     5   6 2
            4    14  15 1
            5     1   2 1
            6    15  16 1
            7     2   3 1
            8    15  17 1
            9     8   7 1
            10   17  18 1
            11    7   5 1
            12   16  19 1
            13    6   9 1
            14   16  20 2
            15    6   4 1
            16   20  21 1
            17    3   4 1
            18   19  22 1
            19   19  23 2
            20    1   5 1
            21   17  24 1
            22    8   9 2
            23   24  25 2
            24    9  10 1
            25   10  11 2
            26   11  12 1
            27   18  26 2
            28   12  13 2
            29   22  27 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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