KEGG   COMPOUND: C02225
Entry
C02225                      Compound                               
Name
2-Methylcitrate;
(2S,3S)-2-Methylcitrate;
2-Hydroxybutane-1,2,3-tricarboxylate;
(2S,3S)-2-Hydroxybutane-1,2,3-tricarboxylate;
(2S,3S)-2-Methylcitric acid
Formula
C7H10O7
Exact mass
206.0427
Mol weight
206.1501
Structure
Reaction
R00931 R04424 R11263
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
Enzyme
2.3.3.5         4.2.1.79        4.2.1.117
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA01 Fatty Acids and Conjugates
   FA0105 Hydroxy fatty acids
    C02225  (2S,3S)-2-Methylcitric acid
Other DBs
PubChem: 5290
ChEBI: 10860 15598 30836
3DMET: B01547
NIKKAJI: J363.014E
LinkDB
KCF data

ATOM        14
            1   C1a C    15.6227  -15.9292
            2   C1c C    16.8286  -16.6163
            3   C1d C    18.0346  -15.9221
            4   C1b C    19.2335  -16.6092
            5   C6a C    20.4394  -15.9151
            6   O6a O    21.6454  -16.6023
            7   O6a O    20.4363  -14.6593
            8   C6a C    18.0316  -14.5269
            9   O1a O    16.8216  -15.0120
            10  C6a C    16.8317  -18.0115
            11  O6a O    15.6241  -18.7152
            12  O6a O    18.0426  -18.7101
            13  O6a O    19.2322  -13.6839
            14  O6a O    16.8208  -13.7588
BOND        13
            1     3   4 1
            2     3   8 1
            3     3   9 1 #Up
            4     4   5 1
            5     2  10 1 #Up
            6     2   3 1
            7    10  11 1
            8     5   6 1
            9    10  12 2
            10    1   2 1
            11    8  13 1
            12    5   7 2
            13    8  14 2

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