KEGG   COMPOUND: C00504Help
Entry
C00504                      Compound                               

Name
Folate;
Pteroylglutamic acid;
Folic acid
Formula
C19H19N7O6
Exact mass
441.1397
Mol weight
441.3975
Structure
Mol fileKCF fileDB search
Remark
Same as: D00070
Reaction
Pathway
map00670  One carbon pool by folate
map00790  Folate biosynthesis
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01523  Antifolate resistance
map04976  Bile secretion
map04977  Vitamin digestion and absorption
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Vitamins and Cofactors
  Vitamins
   Water-soluble vitamins
    C00504  Folic acid (Vitamin B9)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B03 ANTIANEMIC PREPARATIONS
   B03B VITAMIN B12 AND FOLIC ACID
    B03BB Folic acid and derivatives
     B03BB01 Folic acid
      D00070  Folic acid (JP17/USP/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  31  Vitamins
   313  Vitamin B preparations
    3135  Folic acids
     D00070  Folic acid (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  24 Anemia drugs
   D00070  Folic acid (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Folic acid
    D00070  Folic acid (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00070  Folic acid
  D00070  Folic acid tablets
  D00070  Folic acid injection
BRITE hierarchy
Other DBs
CAS: 59-30-3
PubChem: 3787
ChEBI: 27470
ChEMBL: CHEMBL1622
KNApSAcK: C00001539
PDB-CCD: FOL[PDBj]
3DMET: B01273
NIKKAJI: J1.392G
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    15.5904  -18.4449
            2   C8y C    15.5904  -17.0418
            3   N5x N    16.8180  -19.1464
            4   N5x N    14.3803  -19.1522
            5   N5x N    16.8123  -16.3228
            6   C8y C    14.3803  -16.3461
            7   C8x C    18.0458  -18.4507
            8   C8y C    13.1702  -18.4449
            9   C8y C    18.0341  -17.0301
            10  N4x N    13.1702  -17.0418
            11  O5x O    14.3745  -14.9549
            12  N1a N    11.9659  -19.1347
            13  C1b C    19.2325  -16.3286
            14  N1b N    20.4427  -17.0242
            15  C8y C    21.6528  -16.3228
            16  C8x C    22.8570  -17.0184
            17  C8x C    21.6411  -14.9198
            18  C8x C    24.0672  -16.3111
            19  C8x C    22.8453  -14.2182
            20  C8y C    24.0614  -14.9138
            21  C5a C    25.2715  -14.2123
            22  N1b N    26.4817  -14.9081
            23  O5a O    25.2656  -12.8152
            24  C1c C    27.6916  -14.2065
            25  C1b C    28.9077  -14.9021
            26  C6a C    27.6916  -12.8092
            27  C1b C    30.1179  -14.2006
            28  O6a O    28.8960  -12.1077
            29  O6a O    26.4757  -12.1136
            30  C6a C    31.3280  -14.8964
            31  O6a O    32.5381  -14.1948
            32  O6a O    31.3338  -16.2935
BOND        34
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     5   9 2
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 2
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   18  20 2
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23   22  24 1
            24   24  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   26  28 1
            28   26  29 2
            29   27  30 1
            30   30  31 1
            31   30  32 2
            32    7   9 1
            33    8  10 1
            34   19  20 1

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