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Concept information

Preferred term

22-hydroxyvitamin d3  

Type

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

Broader concept

charge

  • 0

formula

  • C27H44O2

inchi

  • InChI=1S/C27H44O2/c1-18(2)8-15-26(29)20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(28)12-9-19(22)3/h10-11,18,20,23-26,28-29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23-,24+,25-,26+,27+/m0/s1

inchikey

  • OCHNORYGWPYCAK-ROIDTVJZSA-N

mass

  • 400.647

monoisotopicmass

  • 400.33413

smiles

  • O[C@@H]([C@H]([C@@]1([C@@]2([C@@](CC1)(/C(/CCC2)=C/C=C/3/C[C@@H](O)CCC3=C)[H])C)[H])C)CCC(C)C

subset

  • 2_STAR

synonym EXACT

  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156181

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