COMPOUND: C16583
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Entry
C16583 Compound
Name
(R)-(Homo)2-citrate;
(R)-2-Hydroxy-1,2,5-pentanetricarboxylate;
(R)-2-Hydroxy-1,2,5-pentanetricarboxylic acid
Formula
C8H12O7
Exact mass
220.0583
Mol weight
220.18
Structure
Mol file
KCF file
DB search
Reaction
R08331
R10391
R10392
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:
51090911
ChEBI:
72694
NIKKAJI:
J2.803.990E
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KCF data
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ATOM 15
1 C1d C 32.2675 -21.2340
2 C1b C 31.0865 -21.9293
3 C1b C 33.4716 -21.9293
4 C6a C 33.1965 -20.2289
5 O1a O 31.1486 -19.9791
6 C1b C 29.8948 -21.2455
7 C6a C 33.4716 -23.3085
8 O6a O 34.5413 -20.5328
9 O6a O 32.7879 -18.9073
10 C1b C 28.7022 -21.9293
11 O6a O 32.2791 -23.9923
12 O6a O 34.6630 -23.9923
13 C6a C 27.4818 -21.2200
14 O6a O 26.2929 -21.9019
15 O6a O 27.4857 -19.8102
BOND 14
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 13 15 2
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