KEGG   COMPOUND: C16597Help
Entry
C16597                      Compound                               

Name
(-)-threo-Iso(homo)2-citrate;
(-)-threo-1-Hydroxy-1,2,5-pentanetricarboxylic acid;
1-Hydroxypentane-1,2,5-tricarboxylate;
threo-(Homo)2-isocitrate
Formula
C8H12O7
Exact mass
220.0583
Mol weight
220.1767
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01210  2-Oxocarboxylic acid metabolism
Module
M00608  2-Oxocarboxylic acid chain extension, 2-oxoglutarate => 2-oxoadipate => 2-oxopimelate => 2-oxosuberate
Enzyme
1.1.1.-         4.2.1.114
Other DBs
PubChem: 51090924
ChEBI: 72713
ChEMBL: CHEMBL225984
NIKKAJI: J2.804.050D
KCF data Show

ATOM        15
            1   C1c C    19.8100  -16.1700
            2   C1b C    18.6200  -16.8700
            3   C1c C    21.0700  -16.8700
            4   C6a C    19.8100  -14.7700
            5   C1b C    17.4300  -16.1700
            6   C6a C    22.2600  -16.1700
            7   O6a O    18.6200  -14.0700
            8   O6a O    21.0700  -14.0700
            9   C1b C    16.1700  -16.8700
            10  O6a O    22.2600  -14.8400
            11  O6a O    23.5200  -16.8700
            12  C6a C    14.9800  -16.1700
            13  O1a O    21.0700  -18.2700
            14  O6a O    13.7900  -16.8700
            15  O6a O    14.9800  -14.7700
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     6  10 2
            10    6  11 1
            11    9  12 1
            12    3  13 1 #Down
            13   12  14 1
            14   12  15 2

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