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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > aldehyde > steroid aldehyde > 3alpha,11beta,21-trihydroxy-20-oxo-5beta-pregnan-18-al
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid aldehyde > 3alpha,11beta,21-trihydroxy-20-oxo-5beta-pregnan-18-al

Preferred term

3alpha,11beta,21-trihydroxy-20-oxo-5beta-pregnan-18-al  

Type

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

Broader concept

charge

  • 0

formula

  • C21H32O5

inchi

  • InChI=1S/C21H32O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-17,19,22,24-25H,2-10H2,1H3/t12-,13-,14+,15+,16-,17+,19-,20+,21-/m1/s1

inchikey

  • YWTDWORQGPLRLL-RXKIGOLRSA-N

mass

  • 364.477

monoisotopicmass

  • 364.22497

smiles

  • C[C@]12CC[C@@H](O)C[C@H]1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O

subset

  • 2_STAR

synonym EXACT

  • 3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:1684

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