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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 > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > seco-steroid > hydroxy seco-steroid > vitamin d > (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol

Preferred term

(22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrovitamin d3 / (22e)-(24r)-1alpha,24,25-trihydroxy-22,23-didehydrocholecalciferol  

Type

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

Broader concept

charge

  • 0

formula

  • C27H42O4

inchi

  • InChI=1S/C27H42O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h8-10,13,17,21-25,28-31H,2,6-7,11-12,14-16H2,1,3-5H3/b13-8+,19-9+,20-10-/t17-,21-,22-,23+,24+,25-,27-/m1/s1

inchikey

  • IALMJJYXOVCTDM-IBDBHOSCSA-N

mass

  • 430.629

monoisotopicmass

  • 430.30831

smiles

  • O[C@H](/C=C/[C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@@H](O)C[C@H](O)C3=C)[H])C)[H])C)C(O)(C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dihydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178603

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