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
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