KEGG   COMPOUND: C00637
Entry
C00637                      Compound                               
Name
Indole-3-acetaldehyde;
2-(Indol-3-yl)acetaldehyde;
Indoleacetaldehyde
Formula
C10H9NO
Exact mass
159.0684
Mol weight
159.1846
Structure
Reaction
R01974 R02173 R02678 R02679 R02680 R02681 R08606
Pathway
map00380  Tryptophan metabolism
map01100  Metabolic pathways
Enzyme
1.1.1.190       1.1.1.191       1.2.1.3         1.2.3.7         
1.4.3.4         1.4.3.22        1.7.3.-         4.1.1.43        
4.1.1.74
Other DBs
CAS: 2591-98-2
PubChem: 3910
ChEBI: 18086
KNApSAcK: C00000109
3DMET: B00152
NIKKAJI: J398.271H
LinkDB
KCF data

ATOM        12
            1   C8x C    21.5600  -16.4500
            2   C8x C    21.5600  -17.8500
            3   C8x C    22.7724  -18.5500
            4   C8y C    23.9849  -17.8500
            5   C8y C    23.9849  -16.4500
            6   C8x C    22.7724  -15.7500
            7   N4x N    25.3164  -18.2826
            8   C8x C    26.1393  -17.1500
            9   C8y C    25.3164  -16.0174
            10  C1b C    25.7475  -14.6906
            11  C4a C    27.1269  -14.3974
            12  O4a O    28.0895  -15.4669
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   11  12 2

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