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Concept information

Preferred term

N [(3a,5b,7b) 7 hydroxy 24 oxo 3 (sulfooxy)cholan 24 yl] Glycine  

Type

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

charge

  • 0

formula

  • C26H43NO8S

inchi

  • InChI=1S/C26H43NO8S/c1-15(4-7-22(29)27-14-23(30)31)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(35-36(32,33)34)12-16(25)13-21(24)28/h15-21,24,28H,4-14H2,1-3H3,(H,27,29)(H,30,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21+,24+,25+,26-/m1/s1

inchikey

  • DKXXSIJHWWVNMO-XROMFQGDSA-N

mass

  • 529.689

monoisotopicmass

  • 529.27094

smiles

  • C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@H](C2)O)([C@]4([C@](CC3)([C@](CC4)([C@@H](CCC(NCC(O)=O)=O)C)[H])C)[H])[H])[H])C)[H])OS(O)(=O)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89129

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