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Chemistry, part 2

Content language

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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 > lipid > steroid > 3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > steroid > 3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-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 > 3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > steroid > 3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-oic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > steroid > 3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-oic acid

Preferred term

3alpha-hydroxy-1,7-dioxo-5beta-cholan-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H36O5

inchi

  • InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,22+,23-,24+/m1/s1

inchikey

  • IVUZTHWHICWXQP-XLHJKXGJSA-N

mass

  • 404.547

monoisotopicmass

  • 404.25627

smiles

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

subset

  • 2_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:183590

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