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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > (20s)-20-(carboxymethyl)oxypregn-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > (20s)-20-(carboxymethyl)oxypregn-4-en-3-one
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > (20s)-20-(carboxymethyl)oxypregn-4-en-3-one

Preferred term

(20s)-20-(carboxymethyl)oxypregn-4-en-3-one  

Type

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

charge

  • 0

formula

  • C23H34O4

inchi

  • InChI=1S/C23H34O4/c1-14(27-13-21(25)26)18-6-7-19-17-5-4-15-12-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,14,17-20H,4-11,13H2,1-3H3,(H,25,26)/t14-,17-,18+,19-,20-,22-,23+/m0/s1

inchikey

  • VUKWZNZHAKAFNU-ATUDNIAQSA-N

mass

  • 374.51370

monoisotopicmass

  • 374.24571

smiles

  • [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)OCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • {[(20S)-3-oxopregn-4-en-20-yl]oxy}acetic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62045

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