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Concept information

Preferred term

3,7,23-trioxo-5beta-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34O5

inchi

  • InChI=1S/C24H34O5/c1-13(10-20(27)22(28)29)16-4-5-17-21-18(7-9-24(16,17)3)23(2)8-6-15(25)11-14(23)12-19(21)26/h13-14,16-18,21H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,21+,23+,24-/m1/s1

inchikey

  • YRDDZRGJIYRFQD-OWRWMAFVSA-N

mass

  • 402.531

monoisotopicmass

  • 402.24062

smiles

  • O=C1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CC(=O)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(CC(=O)CC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxopentanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197117

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