KEGG   COMPOUND: C15499
Entry
C15499                      Compound                               
Name
Pentane-2,4-dione;
Acetylacetone;
2,4-Dioxopentane
Formula
C5H8O2
Exact mass
100.0524
Mol weight
100.12
Structure
Reaction
R07183
Enzyme
1.13.11.50
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C15499  Pentane-2,4-dione
Other DBs
CAS: 123-54-6
PubChem: 17396491
ChEBI: 14750
LIPIDMAPS: LMFA12000075
PDB-CCD: P2D[PDBj]
NIKKAJI: J2.499F
LinkDB
KCF data

ATOM        7
            1   C5a C    28.7700  -20.5800
            2   C1a C    29.9840  -21.2827
            3   C1b C    27.5619  -21.2827
            4   O5a O    28.7700  -19.1803
            5   C5a C    26.3598  -20.5937
            6   C1a C    25.1781  -21.2809
            7   O5a O    26.3550  -19.1804
BOND        6
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     3   5 1
            5     5   6 1
            6     5   7 2

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