KEGG   COMPOUND: C00311Help
Entry
C00311                      Compound                               

Name
Isocitrate;
Isocitric acid;
1-Hydroxytricarballylic acid;
1-Hydroxypropane-1,2,3-tricarboxylic acid
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00020  Citrate cycle (TCA cycle)
map00630  Glyoxylate and dicarboxylate metabolism
map00720  Carbon fixation pathways in prokaryotes
map01060  Biosynthesis of plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01062  Biosynthesis of terpenoids and steroids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01064  Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid
map01065  Biosynthesis of alkaloids derived from histidine and purine
map01066  Biosynthesis of alkaloids derived from terpenoid and polyketide
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
map01130  Biosynthesis of antibiotics
map01200  Carbon metabolism
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map04922  Glucagon signaling pathway
map05230  Central carbon metabolism in cancer
Module
M00009  Citrate cycle (TCA cycle, Krebs cycle)
M00010  Citrate cycle, first carbon oxidation, oxaloacetate => 2-oxoglutarate
M00012  Glyoxylate cycle
M00173  Reductive citrate cycle (Arnon-Buchanan cycle)
M00740  Methylaspartate cycle
Enzyme
1.1.1.41        1.1.1.42        1.1.1.286       2.3.1.126       
4.1.3.1         4.2.1.3
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Tricarboxylic acids
    C00311  Isocitrate
BRITE hierarchy
Other DBs
CAS: 320-77-4
PubChem: 3605
ChEBI: 16087 30887
ChEMBL: CHEMBL539669
3DMET: B04664
NIKKAJI: J95.796H
KCF data Show

ATOM        13
            1   C1c C    25.1466  -22.8102
            2   C1c C    26.3527  -23.5115
            3   C1b C    23.9334  -23.5115
            4   C6a C    25.1466  -21.4133
            5   C6a C    26.3527  -24.9142
            6   O1a O    27.5715  -22.8102
            7   C6a C    22.7216  -22.8102
            8   O6a O    26.3584  -20.7178
            9   O6a O    23.9276  -20.7178
            10  O6a O    25.1466  -25.6099
            11  O6a O    27.5715  -25.6099
            12  O6a O    22.7273  -21.4133
            13  O6a O    21.5084  -23.5175
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    7  12 1
            12    7  13 2

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