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Concept information

Preferred term

catacerebroside b  

Type

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

Broader concept

charge

  • 0

formula

  • C48H93NO10

inchi

  • InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h13,15,39-46,48,50-56H,3-12,14,16-38H2,1-2H3,(H,49,57)/b15-13-/t39-,40+,41+,42+,43-,44+,45-,46+,48+/m0/s1

inchikey

  • NUBWPJRCBFPJEK-HGOUHTFASA-N

mass

  • 844.269

monoisotopicmass

  • 843.67995

smiles

  • O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCC/C=C/CCCCCC

subset

  • 2_STAR

synonym EXACT

  • (Z,2R)-N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]-2-hydroxytetracos-17-enamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:217346

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