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Concept information

Preferred term

1,7-dioxo-5beta-chol-2-en-24-oic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H34O4

inchi

  • InChI=1S/C24H34O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(11-12-23(16,17)2)24(3)15(13-19(22)25)5-4-6-20(24)26/h4,6,14-18,22H,5,7-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,22+,23-,24+/m1/s1

inchikey

  • WTQLNJZNUFNEMV-DZCIQFTJSA-N

mass

  • 386.532

monoisotopicmass

  • 386.24571

smiles

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

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:166701

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