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Concept information

Preferred term

trihexosylceramide (d18:1/16:0)  

Type

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

Broader concept

charge

  • 0

formula

  • C52H97NO18

inchi

  • InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+

inchikey

  • MGOOTGNGBOPVIV-ORIPQNMZSA-N

mass

  • 1024.337

monoisotopicmass

  • 1023.67057

smiles

  • O1C(OC2C(O)C(O)C(OC2CO)OCC(NC(=O)CCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C(O)C(O)C(OC3OC(C(O)C(O)C3O)CO)C1CO

subset

  • 2_STAR

synonym EXACT

  • N-[(E)-1-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]hexadecanamide

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230300

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