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Concept information

Preferred term

carbocyclic thromboxane a2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C21H34O4

has_functional_parent

has_role

inchi

  • InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-20-19(16-14-18(15-16)25-20)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20+/m0/s1

inchikey

  • VQUUFWNZZIMDBR-SXNJQZKASA-N

is_conjugate_acid_of

mass

  • 350.493

monoisotopicmass

  • 350.24571

smiles

  • C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C/CCCC(=O)O

subset

  • 3_STAR

synonym EXACT

  • (5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139043

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