KEGG   COMPOUND: C19939Help
Entry
C19939                      Compound                               

Name
Pentalen-13-al
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map00998  Biosynthesis of secondary metabolites - other antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00819  Pentalenolactone biosynthesis, farnesyl-PP => pentalenolactone
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Humulenes
    C19939  Pentalen-13-al
BRITE hierarchy
Other DBs
PubChem: 135626405
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1z C    20.8920  -21.8758
            2   C1y C    22.0170  -22.6819
            3   C1y C    21.3270  -20.5476
            4   C1x C    19.5058  -21.8642
            5   C1y C    19.7726  -22.6935
            6   C2y C    23.1421  -21.8699
            7   C1x C    21.5937  -24.0099
            8   C1x C    20.2018  -19.7300
            9   C2x C    22.7129  -20.5476
            10  C1z C    19.0710  -20.5476
            11  C1x C    20.2076  -24.0158
            12  C1a C    18.4503  -22.2701
            13  C4a C    24.4644  -22.2992
            14  C1a C    17.7257  -19.7071
            15  C1a C    17.7255  -20.9014
            16  O4a O    25.5076  -21.3590
BOND        18
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13   10  14 1
            14   10  15 1
            15    6   9 2
            16    7  11 1
            17    8  10 1
            18   13  16 2

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