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
206.15
Structure
Reaction
R00931 R04424 R11263
Pathway
map00640  Propanoate metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01200  Carbon metabolism
Module
M00982  Methylcitrate cycle
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
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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