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Chemistry, part 1

Content language

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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 > cholanoid > 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfonic acid > alkanesulfonic acid > 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoacid derivative > sulfonic acid derivative > organosulfonic acid > alkanesulfonic acid > 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > sulfur oxoacid derivative > sulfonic acid derivative > organosulfonic acid > alkanesulfonic acid > 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid

Preferred term

3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H42O5S

inchi

  • InChI=1S/C24H42O5S/c1-15(5-4-12-30(27,28)29)18-6-7-19-22-20(9-11-24(18,19)3)23(2)10-8-17(25)13-16(23)14-21(22)26/h15-22,25-26H,4-14H2,1-3H3,(H,27,28,29)/t15-,16+,17-,18-,19+,20+,21-,22+,23+,24-/m1/s1

inchikey

  • XTAHWZGDBTVOMU-CBHFXPLJSA-N

is_conjugate_acid_of

mass

  • 442.654

monoisotopicmass

  • 442.27530

smiles

  • C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@@]4([C@@H](CCCS(O)(=O)=O)C)[H])[H])C)[H])C

subset

  • 3_STAR

synonym EXACT

  • 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid

synonym RELATED

  • (3alpha,5beta,7alpha)-3,7-dihydroxycholane-24-sulfonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131594

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