KEGG   COMPOUND: C02198
Entry
C02198                      Compound                               
Name
Thromboxane A2;
(5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate;
(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid;
TXA2
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Reaction
R02268 R03878
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04080  Neuroactive ligand-receptor interaction
map04611  Platelet activation
map04726  Serotonergic synapse
map07034  Eicosanoids
Enzyme
5.3.99.5
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C02198  Thromboxane A2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C02198  Thromboxane A2
Other DBs
CAS: 57576-52-0
PubChem: 5266
ChEBI: 15627
LIPIDMAPS: LMFA03030001
3DMET: B01544
NIKKAJI: J40.890E
KCF data

ATOM        25
            1   C1y C    13.3808  -12.8019
            2   C1y C    14.5810  -13.4905
            3   C1x C    12.1870  -13.4905
            4   O2x O    13.3746  -14.1853
            5   C1y C    14.5810  -14.8801
            6   C1b C    15.7875  -12.7830
            7   C1y C    12.1870  -14.8801
            8   O2x O    13.3808  -15.5812
            9   C2b C    15.7939  -15.5749
            10  C2b C    17.0003  -13.4778
            11  C2b C    17.0066  -14.8548
            12  C2b C    18.3711  -13.5414
            13  C1c C    18.2068  -15.5244
            14  C1b C    19.5902  -12.7513
            15  C1b C    19.3817  -14.8169
            16  O1a O    18.2259  -16.8951
            17  C1b C    20.7904  -13.4335
            18  C1b C    20.5820  -15.4865
            19  C1b C    21.9716  -12.7325
            20  C1b C    21.7631  -14.7790
            21  C6a C    23.1654  -13.4146
            22  C1b C    23.2348  -15.5244
            23  O6a O    24.3530  -12.7134
            24  O6a O    23.1845  -14.7032
            25  C1a C    24.6626  -14.7601
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     5   8 1
            8     5   9 1 #Up
            9     6  10 1
            10    9  11 2
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 1 #Down
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   21  24 2
            24   22  25 1
            25    7   4 1 #Down
            26    7   8 1

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Pathway (6)   
   KEGG PATHWAY (6)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (3)   
   KEGG ENZYME (1)   
   KEGG REACTION (2)   
Gene (413)   
   KEGG GENES (413)   
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KEGG   COMPOUND: C05963
Entry
C05963                      Compound                               
Name
Thromboxane B2;
TXB2
Formula
C20H34O6
Exact mass
370.2355
Mol weight
370.4804
Structure
Reaction
R03878 R05060
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
map04976  Bile secretion
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C05963  Thromboxane B2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C05963  Thromboxane B2
Other DBs
CAS: 54397-85-2
PubChem: 8247
ChEBI: 182522 28728
LIPIDMAPS: LMFA03030002
3DMET: B01937
NIKKAJI: J37.201C
KCF data

ATOM        26
            1   C1y C    22.6072  -17.2432
            2   C1y C    22.5955  -18.6416
            3   C1y C    21.3952  -16.5323
            4   C1b C    23.8192  -16.5381
            5   O2x O    21.3719  -19.3409
            6   C2b C    23.8018  -19.3409
            7   C1x C    20.1714  -17.2140
            8   O1a O    21.3836  -15.1104
            9   C2b C    25.0313  -17.2432
            10  C1y C    20.1657  -18.6183
            11  C2b C    25.0138  -18.6416
            12  C2b C    26.2492  -16.5440
            13  O1a O    18.9478  -19.3176
            14  C1c C    26.2143  -19.3468
            15  C1b C    26.2376  -15.1395
            16  C1b C    27.4262  -18.6475
            17  O1a O    26.2083  -20.7454
            18  C1b C    27.4496  -14.4402
            19  C1b C    28.6384  -19.3526
            20  C1b C    27.4496  -13.0417
            21  C1b C    29.8504  -18.6592
            22  C6a C    28.6501  -12.3426
            23  C1b C    31.0509  -19.3642
            24  O6a O    28.6441  -10.9498
            25  O6a O    29.8563  -13.0359
            26  C1a C    32.2629  -18.6825
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    9  12 2
            12   10  13 1 #Down
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26    7  10 1

» Japanese version

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   KEGG PATHWAY (4)   
Chemical substance (17)   
   PubChem (1)   
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   3DMET (1)   
   HMDB (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   MASSBANK (9)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
All databases (23)   

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KEGG   COMPOUND: C05964
Entry
C05964                      Compound                               
Name
11-Dehydro-thromboxane B2
Formula
C20H32O6
Exact mass
368.2199
Mol weight
368.4645
Structure
Reaction
R05060
Pathway
map00590  Arachidonic acid metabolism
map01100  Metabolic pathways
map04726  Serotonergic synapse
Brite
Compounds with biological roles [BR:br08001]
 Lipids
  Eicosanoids
   Thromboxanes
    C05964  11-Dehydro-thromboxane B2
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0303 Thromboxanes
    C05964  11-Dehydro-thromboxane B2
Other DBs
CAS: 67910-12-7
PubChem: 8248
ChEBI: 28667
LIPIDMAPS: LMFA03030004
3DMET: B01938
NIKKAJI: J265.059B
KCF data

ATOM        26
            1   C1y C    22.6072  -17.2432
            2   C1y C    22.5955  -18.6416
            3   C1y C    21.3952  -16.5323
            4   C1b C    23.8192  -16.5381
            5   O7x O    21.3719  -19.3409
            6   C2b C    23.8018  -19.3409
            7   C1x C    20.1714  -17.2140
            8   O1a O    21.3836  -15.1104
            9   C2b C    25.0313  -17.2432
            10  C7x C    20.1657  -18.6183
            11  C2b C    25.0138  -18.6416
            12  C2b C    26.2492  -16.5440
            13  O6a O    18.9478  -19.3176
            14  C1c C    26.2143  -19.3468
            15  C1b C    26.2376  -15.1395
            16  C1b C    27.4262  -18.6475
            17  O1a O    26.2083  -20.7454
            18  C1b C    27.4496  -14.4402
            19  C1b C    28.6384  -19.3526
            20  C1b C    27.4496  -13.0417
            21  C1b C    29.8504  -18.6592
            22  C6a C    28.6501  -12.3426
            23  C1b C    31.0509  -19.3642
            24  O6a O    28.6441  -10.9498
            25  O6a O    29.8563  -13.0359
            26  C1a C    32.2629  -18.6825
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    9  12 2
            12   10  13 2
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1 #Down
            17   15  18 1
            18   16  19 1
            19   18  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   22  25 2
            25   23  26 1
            26    7  10 1

» Japanese version

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Pathway (3)   
   KEGG PATHWAY (3)   
Chemical substance (7)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   HMDB (1)   
   LIPIDBANK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
Chemical reaction (1)   
   KEGG REACTION (1)   
All databases (11)   

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