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Concept information

Preferred term

5بتا سیمنول سولفات (1)  

Type

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

charge

  • -1

formula

  • C27H47O9S

inchi

  • InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/p-1/t15-,16?,17+,18-,19-,20+,21?,22-,23-,24+,25+,26+,27-/m1/s1

inchikey

  • JKUSPYUETNXNRO-JWBDLDPOSA-M

mass

  • 547.72200

monoisotopicmass

  • 547.29463

smiles

  • [H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@@H](O)C(CO)COS([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • (24R)-3alpha,7alpha,12alpha,24,26-pentahydroxy-5beta-cholestan-27-yl sulfate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:58808

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