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Concept information

Preferred term

3a,4b,7a-trihydroxy-5b-cholanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C24H40O5

inchi

  • InChI=1S/C24H40O5/c1-13(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14?,15-,16-,17+,18+,19+,21-,22+,23+,24+/m0/s1

inchikey

  • AIHWGPJJINPTRP-VSASKLEVSA-N

mass

  • 408.579

monoisotopicmass

  • 408.28757

smiles

  • O[C@H]1[C@]2([C@]3([C@@](C(CC3)[C@H](CCC(O)=O)C)(CC[C@@]2([C@@]4([C@](C1)([C@@H](O)[C@H](O)CC4)[H])C)[H])C)[H])[H]

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:175274

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