KEGG   COMPOUND: C21139
Entry
C21139                      Compound                               
Name
(S)-3-Acetyloctanal
Formula
C10H18O2
Exact mass
170.1307
Mol weight
170.25
Structure
Reaction
R11141 R11672
Pathway
map00333  Prodigiosin biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00837  Prodigiosin biosynthesis, L-proline => prodigiosin
Enzyme
2.2.1.12        2.6.1.-
Other DBs
PubChem: 313046619
LinkDB
KCF data

ATOM        12
            1   C1b C    18.6205  -16.5498
            2   C1b C    19.8287  -15.8551
            3   C1c C    17.4065  -15.8551
            4   C1b C    21.0545  -16.5498
            5   C1b C    16.1866  -16.5498
            6   C1b C    22.2744  -15.8551
            7   C4a C    14.9724  -15.8551
            8   C1a C    23.4826  -16.5498
            9   O4a O    13.7584  -16.5498
            10  C5a C    17.4085  -14.4902
            11  O5a O    18.6381  -13.7825
            12  C1a C    16.2132  -13.7976
BOND        11
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 2
            9     3  10 1 #Up
            10   10  11 2
            11   10  12 1

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