KEGG   COMPOUND: C18380Help
Entry
C18380                      Compound                               

Name
Calcium levulinate anhydrous
Formula
C10H14CaO6
Exact mass
270.0416
Mol weight
270.2926
Structure
Mol fileKCF fileDB search
Brite
Animal drugs in Japan [BR:br08331]
 96  Agents affecting metabolism
  963  Mineral and preparations
   9631  Calcium compounds and preparations (except calcium iodid and calcium bromide)
    C18380  Calcium levulinate
BRITE hierarchy
Other DBs
CAS: 591-64-0
PubChem: 124489054
ChEBI: 81717
KCF data Show

ATOM        17
            1   C1a C    32.7600  -19.6700
            2   C5a C    31.6400  -19.0400
            3   C1b C    30.4500  -19.6700
            4   C1b C    29.2600  -19.0400
            5   C7a C    28.1400  -19.6700
            6   O7a O    26.9500  -19.0400 #-
            7   O5a O    31.6400  -17.6400
            8   O6a O    28.1400  -21.0000
            9   C1a C    17.5700  -20.5800
            10  C5a C    18.7600  -21.2100
            11  C1b C    19.9500  -20.5800
            12  C1b C    21.0700  -21.2100
            13  C7a C    22.1900  -20.5800
            14  O7a O    23.4500  -21.2100 #-
            15  O5a O    18.7600  -22.5400
            16  O6a O    22.1900  -19.1800
            17  Z   Ca   24.9900  -20.2300 #2+
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   7 2
            7     5   8 2
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 1
            13   10  15 2
            14   13  16 2
            15   14  17 1
            16    6  17 1

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