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Concept information

Preferred term

(سولفو 3')Galbeta Cer(d18:1/18:0 (2OH))  

Type

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

charge

  • 0

formula

  • C42H81NO12S

inchi

  • InChI=1S/C42H81NO12S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(46)41(49)43-34(35(45)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)33-53-42-39(48)40(55-56(50,51)52)38(47)37(32-44)54-42/h28,30,34-40,42,44-48H,3-27,29,31-33H2,1-2H3,(H,43,49)(H,50,51,52)/b30-28+/t34-,35+,36?,37+,38-,39?,40?,42+/m0/s1

inchikey

  • QAXLTFVHNINRAJ-MDNLEJKJSA-N

mass

  • 824.170

monoisotopicmass

  • 823.54795

smiles

  • S(OC1[C@@H](O)[C@H](O[C@@H](OC[C@H](NC(=O)C(O)CCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C1O)CO)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R,5S,6R)-3,5-dihydroxy-2-[(E,2S,3R)-3-hydroxy-2-(2-hydroxyoctadecanoylamino)octadec-4-enoxy]-6-(hydroxymethyl)oxan-4-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169878

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