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Chemistry, part 1

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Concept information

organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > organooxygen compound > ester > carboxylic ester > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > organooxygen compound > carbonyl compound > carboxylic ester > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > organooxygen compound > carbonyl compound > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > organooxygen compound > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > dicarboxylic acid monoester > hemisuccinate > 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate

Preferred term

3beta-hydroxy-5beta-pregnan-20-one hemisuccinate  

Type

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

Broader concept

charge

  • 0

formula

  • C25H38O5

inchi

  • InChI=1S/C25H38O5/c1-15(26)19-6-7-20-18-5-4-16-14-17(30-23(29)9-8-22(27)28)10-12-24(16,2)21(18)11-13-25(19,20)3/h16-21H,4-14H2,1-3H3,(H,27,28)/t16-,17+,18+,19-,20+,21+,24+,25-/m1/s1

inchikey

  • UVTGFMKBPVLATL-MFKGMXCUSA-N

mass

  • 418.56620

monoisotopicmass

  • 418.27192

smiles

  • [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@H](C(C)=O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@@H](C2)OC(=O)CCC(O)=O

subset

  • 3_STAR

synonym EXACT

  • 4-oxo-4-{[(3beta,5beta)-20-oxopregnan-3-yl]oxy}butanoic acid

synonym RELATED

  • 3beta-hydroxy-5beta-pregnan-20-one succinate
  • succinic acid mono-(20-oxo-5beta-pregnan-3beta-yl ester)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:45352

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