KEGG   COMPOUND: C13455Help
Entry
C13455                      Compound                               

Name
Abscisic aldehyde
Formula
C15H20O3
Exact mass
248.1412
Mol weight
248.3175
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00906  Carotenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00372  Abscisic acid biosynthesis, beta-carotene => abscisic acid
Enzyme
1.1.1.288       1.2.3.14
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010305 Cyclofarnesane sesquiterpenoids
     C13455  Abscisic aldehyde
BRITE hierarchy
Other DBs
PubChem: 586195
ChEBI: 31157
KNApSAcK: C00007236
NIKKAJI: J489.427H J751.663K
KCF data Show

ATOM        18
            1   C1z C    22.6380  -19.4525
            2   C1z C    21.4274  -18.7540
            3   C2y C    22.6380  -20.8496
            4   C2b C    23.8489  -18.7540
            5   O1a O    23.8489  -20.2907
            6   C1x C    20.2165  -19.4525
            7   C2x C    21.4274  -21.5481
            8   C1a C    23.8489  -21.5481
            9   C2b C    25.0597  -19.4525
            10  C5x C    20.2165  -20.8496
            11  C2c C    26.2705  -18.7540
            12  O5x O    19.0058  -21.5015
            13  C2b C    27.4812  -19.4525
            14  C1a C    26.2705  -17.3569
            15  C4a C    27.4812  -20.8496
            16  O4a O    28.6832  -21.5434
            17  C1a C    22.1274  -17.5415
            18  C1a C    20.4374  -17.7640
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     6  10 1
            10    9  11 1
            11   10  12 2
            12   11  13 2
            13   11  14 1
            14   13  15 1
            15    7  10 1
            16   15  16 2
            17    2  17 1
            18    2  18 1

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