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Concept information

Preferred term

3,11-dioxo-5beta-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O4

inchi

  • InChI=1S/C24H36O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,22-,23+,24-/m1/s1

inchikey

  • SWQLMNAURFIKGL-XMIYWWMASA-N

mass

  • 388.548

monoisotopicmass

  • 388.26136

smiles

  • O=C1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C1)C)[H])(CC[C@]4([C@@]2(CCC(=O)C4)C)[H])[H])[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:178708

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