COMPOUND: C16598
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Entry
C16598 Compound
Name
(R)-(Homo)3-citrate;
(R)-2-Hydroxy-1,2,6-hexanetricarboxylate;
(R)-2-Hydroxy-1,2,6-hexanetricarboxylic acid
Formula
C9H14O7
Exact mass
234.074
Mol weight
234.2033
Structure
Mol file
KCF file
DB search
Reaction
R08332
R10394
R10395
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
2.3.3.-
4.2.1.114
Other DBs
PubChem:
51090925
ChEBI:
72698
NIKKAJI:
J2.804.053I
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KCF data
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ATOM 16
1 C1d C 32.9001 -21.1896
2 C1b C 31.7216 -21.8835
3 C1b C 34.1017 -21.8835
4 C6a C 33.8272 -20.1866
5 O1a O 31.7835 -19.9374
6 C1b C 30.5323 -21.2011
7 C6a C 34.1017 -23.2598
8 O6a O 35.1691 -20.4899
9 O6a O 33.4194 -18.8678
10 C1b C 29.3422 -21.8835
11 O6a O 32.9117 -23.9422
12 O6a O 35.2906 -23.9422
13 C1b C 28.1244 -21.1757
14 C6a C 26.9380 -21.8561
15 O6a O 25.7297 -21.1539
16 O6a O 26.9341 -23.2399
BOND 15
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 1 5 1 #Up
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 6 10 1
10 7 11 1
11 7 12 2
12 10 13 1
13 13 14 1
14 14 15 1
15 14 16 2
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