KEGG   COMPOUND: C00777
Entry
C00777                      Compound                               
Name
Retinoate;
Retinoic acid;
Vitamin A acid;
all-trans-Retinoate;
Acide retinoique (French) (DSL);
Tretinoine (French) (EINECS);
3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL);
(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid;
beta-Retinoic acid;
AGN 100335;
all-(E)-Retinoic acid;
all-trans-beta-Retinoic acid;
all-trans-Retinoic acid;
all-trans-Tretinoin;
all-trans-Vitamin A acid;
Ro 1-5488;
trans-Retinoic acid;
Tretin M;
all-trans-Vitamin A1 acid
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.43
Structure
Remark
Same as: D00094
Reaction
R02123 R02125 R02902 R08390 R08391 R08392
Pathway
map00830  Retinol metabolism
map01100  Metabolic pathways
map04659  Th17 cell differentiation
map04672  Intestinal immune network for IgA production
map05200  Pathways in cancer
map05222  Small cell lung cancer
map05223  Non-small cell lung cancer
map05226  Gastric cancer
Enzyme
1.2.1.36        1.2.3.1         1.14.14.1       1.14.14.-       
2.4.1.17
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0109 Retinoids
    C00777  Retinoate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AD Retinoids for topical use in acne
     D10AD01 Tretinoin
      D00094  Tretinoin (JAN/USP/INN) <JP/US>
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XF Retinoids for cancer treatment
     L01XF01 Tretinoin
      D00094  Tretinoin (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Tretinoin
    D00094  Tretinoin (JAN/USP/INN)
 Dermatological Agents
  Acne and Rosacea Agents
   Retinoids
    Tretinoin
     D00094  Tretinoin (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D00094  Tretinoin (JAN/USP/INN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   DG00433  Tretinoin
    D00094  Tretinoin
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D00094  Tretinoin (JAN/USP/INN) <JP/US>
    PML-RARA
     D00094  Tretinoin (JAN/USP/INN) <JP/US>
Other DBs
CAS: 302-79-4
PubChem: 4038
ChEBI: 15367 177281
LIPIDMAPS: LMPR01090019
PDB-CCD: REA[PDBj]
NIKKAJI: J1.518K
LinkDB
KCF data

ATOM        22
            1   C2y C    17.3247  -15.7429
            2   C1z C    17.3247  -17.1420
            3   C2y C    16.1099  -15.0496
            4   C2b C    18.5202  -15.0434
            5   C1x C    16.1099  -17.8480
            6   C1a C    17.8603  -18.7470
            7   C1a C    18.6474  -17.4919
            8   C1x C    14.9143  -15.7429
            9   C1a C    16.1035  -13.6632
            10  C2b C    19.7224  -15.7366
            11  C1x C    14.9143  -17.1420
            12  C2c C    20.9178  -15.0369
            13  C2b C    22.1136  -15.7302
            14  C1a C    20.9116  -13.6570
            15  C2b C    23.3093  -15.0306
            16  C2b C    24.5112  -15.7175
            17  C2c C    25.7069  -15.0244
            18  C2b C    26.9089  -15.7112
            19  C1a C    25.7005  -13.6442
            20  C6a C    28.1046  -15.0179
            21  O6a O    29.3002  -15.7112
            22  O6a O    28.0918  -13.6378
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14   13  15 1
            15   15  16 2
            16   16  17 1
            17   17  18 2
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   20  22 2
            22    8  11 1

» Japanese version

KEGG   COMPOUND: C15493
Entry
C15493                      Compound                               
Name
9-cis-Retinoic acid
Formula
C20H28O2
Exact mass
300.2089
Mol weight
300.43
Structure
Remark
Same as: D02815
Reaction
R08384 R08385
Pathway
map00830  Retinol metabolism
map01100  Metabolic pathways
map03320  PPAR signaling pathway
map04672  Intestinal immune network for IgA production
map04920  Adipocytokine signaling pathway
map05200  Pathways in cancer
map05222  Small cell lung cancer
map05223  Non-small cell lung cancer
map05226  Gastric cancer
Enzyme
1.2.1.36        1.2.3.1
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0109 Retinoids
    C15493  9-cis-Retinoic acid
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AH Agents for dermatitis, excluding corticosteroids
     D11AH04 Alitretinoin
      D02815  Alitretinoin (USAN) <US>
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XF Retinoids for cancer treatment
     L01XF02 Alitretinoin
      D02815  Alitretinoin (USAN) <US>
USP drug classification [BR:br08302]
 Antineoplastics
  Retinoids
   Alitretinoin
    D02815  Alitretinoin (USAN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01604  Retinol derivative
   D02815  Alitretinoin
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Retinoic acid receptor (RAR)
    NR1B (RAR)
     D02815  Alitretinoin (USAN) <US>
  Hepatocyte nuclear factor 4 like receptors
   Retinoid X receptor (RXR)
    NR2B (RXR)
     D02815  Alitretinoin (USAN) <US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02815
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02815
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02815
Other DBs
CAS: 5300-03-8
PubChem: 17396485
ChEBI: 50648
LIPIDMAPS: LMPR01090022
PDB-CCD: 9CR[PDBj]
NIKKAJI: J528.606I
LinkDB
KCF data

ATOM        22
            1   C2y C    17.3247  -15.7429
            2   C1z C    17.3247  -17.1420
            3   C2y C    16.1099  -15.0496
            4   C2b C    18.5202  -15.0434
            5   C1x C    16.1099  -17.8480
            6   C1a C    17.8603  -18.7470
            7   C1a C    18.6474  -17.4919
            8   C1x C    14.9143  -15.7429
            9   C1a C    16.1035  -13.6632
            10  C2b C    19.7224  -15.7366
            11  C1x C    14.9143  -17.1420
            12  C2c C    20.9178  -15.0369
            13  C2b C    22.1136  -15.7302
            14  C1a C    20.9116  -13.6570
            15  C2b C    22.1138  -17.1500
            16  C2b C    23.3231  -17.8554
            17  C2c C    23.3168  -19.2554
            18  C2b C    24.5261  -19.9608
            19  C6a C    24.5199  -21.3607
            20  O6a O    23.2942  -22.0613
            21  O6a O    25.7097  -22.0547
            22  C1a C    22.0985  -19.9516
BOND        22
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 2
            10    5  11 1
            11   10  12 1
            12   12  13 2
            13   12  14 1
            14    8  11 1
            15   13  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 1
            21   19  21 2
            22   17  22 1

» Japanese version

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