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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > cholestanoid > 3beta-hydroxycholest-5-en-26-al > (25r)-3beta-hydroxycholest-5-en-26-al
3beta-hydroxy steroid > 3beta-sterol > 3beta-hydroxycholest-5-en-26-al > (25r)-3beta-hydroxycholest-5-en-26-al
... > organooxygen compound > carbonyl compound > aldehyde > steroid aldehyde > 3beta-hydroxycholest-5-en-26-al > (25r)-3beta-hydroxycholest-5-en-26-al
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > steroid aldehyde > 3beta-hydroxycholest-5-en-26-al > (25r)-3beta-hydroxycholest-5-en-26-al

Preferred term

(25r)-3beta-hydroxycholest-5-en-26-al  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

has_functional_parent

inchi

  • InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

inchikey

  • JUGXQEJPWDYOJV-YSQMORBQSA-N

mass

  • 400.63710

monoisotopicmass

  • 400.33413

smiles

  • C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O

subset

  • 3_STAR

synonym EXACT

  • (25R)-3beta-hydroxycholest-5-en-26-al

synonym RELATED

  • (25R)-3beta-hydroxy-5-cholesten-26-al
  • (3beta,25R)-3-hydroxycholest-5-en-26-al

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86096

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