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Concept information

Preferred term

(5آلفا) 3 oxocholestan 26 oic acid  

Type

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

charge

  • 0

formula

  • C27H44O3

inchi

  • InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17-19,21-24H,5-16H2,1-4H3,(H,29,30)/t17-,18?,19+,21+,22-,23+,24+,26+,27-/m1/s1

inchikey

  • VJABJEQGFJMMDO-DHOKGTGGSA-N

mass

  • 416.63650

monoisotopicmass

  • 416.32905

smiles

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

subset

  • 3_STAR

synonym EXACT

  • (5alpha)-3-oxocholestan-26-oic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78701

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