KEGG   COMPOUND: C04593Help
Entry
C04593                      Compound                               

Name
(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate;
Methylisocitrate;
Methylisocitric acid
Formula
C7H10O7
Exact mass
206.0427
Mol weight
206.1501
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Propanoate metabolism
Enzyme
4.1.3.30        4.2.1.99
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        14
            1   C1c C    17.5000  -17.5716
            2   C1d C    16.0655  -16.9282
            3   C1b C    18.7093  -16.8767
            4   C6a C    17.5000  -19.1838
            5   C6a C    16.0655  -15.6725
            6   C1a C    14.7798  -17.4894
            7   O1a O    16.0784  -18.2983
            8   C6a C    19.9250  -17.5716
            9   O6a O    16.3543  -19.8085
            10  O6a O    18.7157  -19.8785
            11  O6a O    17.3713  -14.9777
            12  O6a O    14.8498  -14.9777
            13  O6a O    19.9508  -18.8950
            14  O6a O    21.1344  -16.8704
BOND        13
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     2   7 1 #Up
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 2
            12    8  13 1
            13    8  14 2

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