CHEBI:165349 - TXA3

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TXA3
ChEBI ID CHEBI:165349
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,20-21H,2,5,8-11,14H2,1H3,(H,22,23)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-,20+/m0/s1
InChIKey NMZKLLJQNNTBRJ-OIXZZONUSA-N
SMILES O1[C@@]2([C@@H]([C@H](O[C@]1(C2)[H])/C=C/[C@@H](O)C/C=C\CC)C/C=C\CCCC(O)=O)[H]
ChEBI Ontology
Outgoing TXA3 (CHEBI:165349) is a thromboxane (CHEBI:26995)
IUPAC Name
(Z)-7-[(1S,3R,4S,5S)-3-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2,6-dioxabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
Manual Xrefs Databases
4446263 ChemSpider
LMFA03030005 LIPID MAPS
View more database links