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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > (z)-7-[(1r,3s,4s,5r)-3-[(e,3r)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > (z)-7-[(1r,3s,4s,5r)-3-[(e,3r)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > long-chain fatty acid > (z)-7-[(1r,3s,4s,5r)-3-[(e,3r)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid

Preferred term

(z)-7-[(1r,3s,4s,5r)-3-[(e,3r)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H34O3S

inchi

  • InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)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+

inchikey

  • OVGWMUWIRHGGJP-RTYMFESYSA-N

mass

  • 366.560

monoisotopicmass

  • 366.22287

smiles

  • S1C2C(C(CC1C2)/C=C/C(O)CCCCC)C/C=C/CCCC(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E)-7-[3-[(E)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-2-yl]hept-5-enoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230167

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