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Concept information

Preferred term

7-methyl-cholic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C25H42O5

inchi

  • InChI=1S/C25H42O5/c1-14(5-8-21(28)29)17-6-7-18-22-19(12-20(27)25(17,18)4)23(2)10-9-16(26)11-15(23)13-24(22,3)30/h14-20,22,26-27,30H,5-13H2,1-4H3,(H,28,29)

inchikey

  • YSLVYCWXAPPBIQ-UHFFFAOYSA-N

mass

  • 422.606

monoisotopicmass

  • 422.30322

smiles

  • OC1(C2C3C(C(CC3)C(CCC(O)=O)C)(C(O)CC2C4(C(C1)CC(O)CC4)C)C)C

subset

  • 2_STAR

synonym EXACT

  • 4-(3,7,12-trihydroxy-7,10,13-trimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231164

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