KEGG   COMPOUND: C00158
Entry
C00158                      Compound                               
Name
Citrate;
Citric acid;
2-Hydroxy-1,2,3-propanetricarboxylic acid;
2-Hydroxytricarballylic acid
Formula
C6H8O7
Exact mass
192.027
Mol weight
192.1235
Structure
Remark
Same as: D00037
Reaction
R00351 R00352 R00362 R01322 R01323 R01324 R01325 R10090
R10677 R12308 R12353 R12354 R12596
Pathway
map00020  Citrate cycle (TCA cycle)
map00250  Alanine, aspartate and glutamate metabolism
map00630  Glyoxylate and dicarboxylate metabolism
map00720  Carbon fixation pathways in prokaryotes
map01053  Biosynthesis of siderophore group nonribosomal peptides
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
map01200  Carbon metabolism
map01210  2-Oxocarboxylic acid metabolism
map01230  Biosynthesis of amino acids
map01240  Biosynthesis of cofactors
map02020  Two-component system
map04742  Taste transduction
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
2.3.3.1         2.3.3.3         2.3.3.8         2.3.3.16        
2.8.3.10        4.1.3.6         4.2.1.3         6.2.1.18        
6.3.1.17        6.3.2.38        6.3.2.54        6.3.2.57        
6.3.2.58        6.3.2.-
Brite
Compounds with biological roles [BR:br08001]
 Organic acids
  Carboxylic acids
   Tricarboxylic acids
    C00158  Citrate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A09 DIGESTIVES, INCL. ENZYMES
   A09A DIGESTIVES, INCL. ENZYMES
    A09AB Acid preparations
     A09AB04 Citric acid
      D00037  Citric acid, anhydrous (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Anhydrous citric acid
    D00037  Citric acid, anhydrous (USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00037  Anhydrous citric acid
Other DBs
CAS: 77-92-9
PubChem: 3458
ChEBI: 16947 30769
KNApSAcK: C00007619
PDB-CCD: CIT[PDBj] FLC[PDBj]
3DMET: B00046
NIKKAJI: J2.824J
LinkDB
KCF data

ATOM        13
            1   O6a O    14.3500  -22.6800
            2   C6a C    15.5624  -21.9800
            3   C1b C    16.7749  -22.6800
            4   C1d C    17.9873  -21.9800
            5   C1b C    19.1997  -22.6800
            6   C6a C    20.4122  -21.9800
            7   O6a O    21.6246  -22.6800
            8   O6a O    15.5624  -20.5802
            9   O6a O    20.4122  -20.7203
            10  C6a C    17.9873  -20.5800
            11  O6a O    19.2018  -19.7388
            12  O6a O    16.7769  -19.7412
            13  O1a O    18.3497  -23.6123
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   8 2
            8     6   9 2
            9     4  10 1
            10   10  11 1
            11   10  12 2
            12    4  13 1

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