U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H32O5
Molecular Weight 352.4651
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of THROMBOXANE A2

SMILES

CCCCC[C@H](O)\C=C\[C@H]1O[C@H]2C[C@H](O2)[C@@H]1C\C=C/CCCC(O)=O

InChI

InChIKey=DSNBHJFQCNUKMA-SCKDECHMSA-N
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H32O5
Molecular Weight 352.4651
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:06:07 UTC 2023
Edited
by admin
on Sat Dec 16 09:06:07 UTC 2023
Record UNII
4C2A5G825S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THROMBOXANE A2
MI  
Common Name English
(5Z,9.ALPHA.,11.ALPHA.,13E,15S)-9,11-EPOXY-15-HYDROXYTHROMBOXA-5,13-DIEN-1-OIC ACID
Systematic Name English
THROMBOXANE A2 [MI]
Common Name English
5-HEPTENOIC ACID, 7-((1S,3R,4S,5S)-3-((1E,3S)-3-HYDROXY-1-OCTEN-1-YL)-2,6-DIOXABICYCLO(3.1.1)HEPT-4-YL)-, (5Z)-
Systematic Name English
TXA2
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C879
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
Code System Code Type Description
CHEBI
57445
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID201317452
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
CAS
57576-52-0
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
CHEBI
15627
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
PUBCHEM
5280497
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
FDA UNII
4C2A5G825S
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
WIKIPEDIA
Thromboxane A2
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
MERCK INDEX
m10812
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C122988
Created by admin on Sat Dec 16 09:06:08 UTC 2023 , Edited by admin on Sat Dec 16 09:06:08 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
METABOLITE INACTIVE -> PARENT
PARENT -> METABOLITE ACTIVE