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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic sodium salt > sodium (9xi,14xi,25s)-3beta,5,6beta,16beta,26-pentahydroxy-5alpha,8xi-cholestan-15alpha-yl sulfate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > alkali metal salt > sodium salt > organic sodium salt > sodium (9xi,14xi,25s)-3beta,5,6beta,16beta,26-pentahydroxy-5alpha,8xi-cholestan-15alpha-yl sulfate

Preferred term

sodium (9xi,14xi,25s)-3beta,5,6beta,16beta,26-pentahydroxy-5alpha,8xi-cholestan-15alpha-yl sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C27H47O9S.Na

has_role

inchi

  • InChI=1S/C27H48O9S.Na/c1-15(14-28)6-5-7-16(2)21-23(31)24(36-37(33,34)35)22-18-12-20(30)27(32)13-17(29)8-11-26(27,4)19(18)9-10-25(21,22)3;/h15-24,28-32H,5-14H2,1-4H3,(H,33,34,35);/q;+1/p-1/t15-,16+,17-,18?,19?,20+,21-,22?,23+,24+,25+,26+,27-;/m0./s1

inchikey

  • PBROQOHDHUXSEC-FXJKTJHOSA-M

mass

  • 570.710

monoisotopicmass

  • 570.28385

smiles

  • [Na+].[H][C@]1([C@H](C)CCC[C@H](C)CO)[C@@H](O)[C@H](OS([O-])(=O)=O)C2C3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)C3CC[C@]12C

subset

  • 3_STAR

synonym EXACT

  • sodium (9xi,14xi,25S)-3beta,5,6beta,16beta,26-pentahydroxy-5alpha,8xi-cholestan-15alpha-yl sulfate

synonym RELATED

  • (25S)-5alpha-cholestane-3beta,5alpha,6beta,15alpha,16beta,26-hexol 15-sulphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:228368

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