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Chemistry, part 2

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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 > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > steroid > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > hydroxy steroid > 3-hydroxy steroid > 11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid

Preferred term

11beta-hydroxy-3,20-dioxopregn-4-en-21-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H32O5

has_role

inchi

  • InChI=1S/C22H32O5/c1-21-8-7-13(23)9-12(21)3-4-14-15-5-6-16(17(24)10-19(26)27)22(15,2)11-18(25)20(14)21/h9,14-18,20,24-25H,3-8,10-11H2,1-2H3,(H,26,27)/t14-,15-,16+,17?,18-,20+,21-,22-/m0/s1

inchikey

  • MSUMOHDXPKCNSB-CUOJZFFHSA-N

mass

  • 376.493

monoisotopicmass

  • 376.22497

smiles

  • O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@H](CC3)C(O)CC(O)=O)(C1)C)[H])(CCC=4[C@@]2(CCC(=O)C4)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • 3-hydroxy-3-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166772

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