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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > (2r)-n-/{(1s,2r,3e,7e)-1-[(beta-d-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl/}-2-hydroxyheneicosanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > (2r)-n-/{(1s,2r,3e,7e)-1-[(beta-d-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl/}-2-hydroxyheneicosanamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > o-acyl carbohydrate > (2r)-n-/{(1s,2r,3e,7e)-1-[(beta-d-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl/}-2-hydroxyheneicosanamide

Preferred term

(2r)-n-/{(1s,2r,3e,7e)-1-[(beta-d-glucopyranosyloxy)methyl]-2-hydroxy-8-methylhexadeca-3,7-dien-1-yl/}-2-hydroxyheneicosanamide  

Type

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

Broader concept

charge

  • 0

formula

  • C45H85NO9

inchi

  • InChI=1S/C45H85NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-11-9-7-5-2/h29,31-32,37-43,45,47-52H,4-28,30,33-35H2,1-3H3,(H,46,53)/b32-29+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1

inchikey

  • PXPMJITWWNPJHH-OSOIEDSXSA-N

mass

  • 784.173

monoisotopicmass

  • 783.62243

smiles

  • O=C(N[C@H]([C@H](O)/C=C/CC/C=C(/CCCCCCCC)/C)CO[C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)[C@H](O)CCCCCCCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptadeca-4,8-dien-2-yl]henicosanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210330

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