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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > cyclohexanols > (4e, 8e)-n-2-hydroxyhexadecanoyl-1-o-beta-glucopyranosyl-9-methyl-c18-sphinga-4,8-dienine

Preferred term

(4e, 8e)-n-2-hydroxyhexadecanoyl-1-o-beta-glucopyranosyl-9-methyl-c18-sphinga-4,8-dienine  

Type

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

Broader concept

charge

  • 0

formula

  • C42H79NO8

inchi

  • InChI=1S/C42H79NO8/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-37(46)42(50)43-35(32-51-38-30-34(31-44)39(47)41(49)40(38)48)36(45)28-25-21-23-27-33(3)26-22-19-17-11-9-7-5-2/h25,27-28,34-41,44-49H,4-24,26,29-32H2,1-3H3,(H,43,50)/b28-25+,33-27+

inchikey

  • CWYKTPKKNCPQTI-YIVLLMPVSA-N

mass

  • 726.093

monoisotopicmass

  • 725.58057

smiles

  • O=C(NC(C(O)/C=C/CC/C=C(/CCCCCCCCC)/C)COC1C(O)C(O)C(O)C(C1)CO)C(O)CCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224202

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