KEGG   COMPOUND: C16600
Entry
C16600                      Compound                               
Name
(-)-threo-Iso(homo)3-citrate;
(-)-threo-1-Hydroxy-1,2,6-hexanetricarboxylic acid;
1-Hydroxyhexane-1,2,6-tricarboxylate;
threo-(Homo)3-isocitrate
Formula
C9H14O7
Exact mass
234.074
Mol weight
234.2033
Structure
Reaction
R08215 R10394 R10396
Pathway
map00680  Methane metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
map01210  2-Oxocarboxylic acid metabolism
map01240  Biosynthesis of cofactors
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: 51090926
ChEBI: 80595
NIKKAJI: J2.804.054G
LinkDB
KCF data

ATOM        16
            1   C1c C    20.4400  -16.1700
            2   C1b C    19.1800  -16.8700
            3   C1c C    21.6300  -16.8700
            4   C6a C    20.4400  -14.7700
            5   C1b C    17.9900  -16.1700
            6   C6a C    22.8200  -16.1700
            7   O6a O    19.1800  -14.0700
            8   O6a O    21.6300  -14.0700
            9   C1b C    16.8000  -16.8700
            10  O6a O    22.8200  -14.7700
            11  O6a O    24.0800  -16.8700
            12  C1b C    15.5400  -16.1700
            13  O1a O    21.6300  -18.2700
            14  C6a C    14.3500  -16.8700
            15  O6a O    13.1600  -16.1700
            16  O6a O    14.3500  -18.2700
BOND        15
            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   14  15 1
            15   14  16 2

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