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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 > seco-steroid > seco-cholestane > calciol
... > 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 > calciol
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > calciol
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > hydroxy seco-steroid > calciol
... > 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 > calciol
... > 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 > calciol

Preferred term

calciol  

Type

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

Broader concept

alt_id

  • CHEBI:10008
  • CHEBI:23170
  • CHEBI:46283

charge

  • 0

formula

  • C27H44O

has_role

inchi

  • InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1

inchikey

  • QYSXJUFSXHHAJI-YRZJJWOYSA-N

mass

  • 384.63766

monoisotopicmass

  • 384.33922

smiles

  • [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC/C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C

subset

  • 3_STAR

synonym EXACT

  • (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • calciol

synonym RELATED

  • (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL
  • (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • activated 7-dehydrocholesterol
  • CC
  • Cholecalciferol
  • colecalciferol
  • Delta-D
  • oleovitamin D3
  • (+)-vitamin D3
  • Vitamin D3
  • vitamin D3

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28940

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