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Details

Stereochemistry UNKNOWN
Molecular Formula C20H32O6
Molecular Weight 368.4645
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of THROMBOXANE B3

SMILES

CC\C=C/C[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O

InChI

InChIKey=OYPPJMLKAYYWHH-NXJDUNGTSA-N
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H32O6
Molecular Weight 368.4645
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 16:30:17 GMT 2025
Edited
by admin
on Tue Apr 01 16:30:17 GMT 2025
Record UNII
S1WQ5UNY10
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TXB3
Preferred Name English
THROMBOXANE B3
Common Name English
(5Z)-7-((2R,3S,4S)-TETRAHYDRO-4,6-DIHYDROXY-2-((1E,3S,5Z)-3-HYDROXY-1,5-OCTADIEN-1-YL)-2H-PYRAN-3-YL)-5-HEPTENOIC ACID
Systematic Name English
THROMBOXA-5,13,17-TRIEN-1-OIC ACID, 9,11,15-TRIHYDROXY-, (5Z,9.ALPHA.,13E,15S,17Z)-
Systematic Name English
5-HEPTENOIC ACID, 7-((2R,3S,4S)-TETRAHYDRO-4,6-DIHYDROXY-2-((1E,3S,5Z)-3-HYDROXY-1,5-OCTADIEN-1-YL)-2H-PYRAN-3-YL)-, (5Z)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501347454
Created by admin on Tue Apr 01 16:30:17 GMT 2025 , Edited by admin on Tue Apr 01 16:30:17 GMT 2025
PRIMARY
CHEBI
84444
Created by admin on Tue Apr 01 16:30:17 GMT 2025 , Edited by admin on Tue Apr 01 16:30:17 GMT 2025
PRIMARY
PUBCHEM
5283140
Created by admin on Tue Apr 01 16:30:17 GMT 2025 , Edited by admin on Tue Apr 01 16:30:17 GMT 2025
PRIMARY
FDA UNII
S1WQ5UNY10
Created by admin on Tue Apr 01 16:30:17 GMT 2025 , Edited by admin on Tue Apr 01 16:30:17 GMT 2025
PRIMARY
CAS
71953-80-5
Created by admin on Tue Apr 01 16:30:17 GMT 2025 , Edited by admin on Tue Apr 01 16:30:17 GMT 2025
PRIMARY