COMPOUND: C02198
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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
352.2250
Mol weight
352.46
Structure
Mol file
KCF file
DB search
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
BRITE hierarchy
Other DBs
CAS:
57576-52-0
PubChem:
5266
ChEBI:
15627
LIPIDMAPS:
LMFA03030001
NIKKAJI:
J40.890E
LinkDB
All DBs
KCF data
Show
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
» Japanese version
COMPOUND: C05963
Help
Entry
C05963 Compound
Name
Thromboxane B2;
TXB2
Formula
C20H34O6
Exact mass
370.2355
Mol weight
370.48
Structure
Mol file
KCF file
DB search
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
BRITE hierarchy
Other DBs
CAS:
54397-85-2
PubChem:
8247
ChEBI:
182522
28728
LIPIDMAPS:
LMFA03030002
NIKKAJI:
J37.201C
LinkDB
All DBs
KCF data
Show
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
COMPOUND: C05964
Help
Entry
C05964 Compound
Name
11-Dehydro-thromboxane B2
Formula
C20H32O6
Exact mass
368.2199
Mol weight
368.46
Structure
Mol file
KCF file
DB search
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
BRITE hierarchy
Other DBs
CAS:
67910-12-7
PubChem:
8248
ChEBI:
28667
LIPIDMAPS:
LMFA03030004
NIKKAJI:
J265.059B
LinkDB
All DBs
KCF data
Show
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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