KEGG   COMPOUND: C19939
Entry
C19939                      Compound                               
Name
Pentalen-13-al
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00819  Pentalenolactone biosynthesis, farnesyl-PP => pentalenolactone
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010374 Pentalenane sesquiterpenoids
     C19939  Pentalen-13-al
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Humulenes
    C19939  Pentalen-13-al
Other DBs
PubChem: 135626405
ChEBI: 181936
LIPIDMAPS: LMPR0103740001
LinkDB
KCF data

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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