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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > 6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose

Preferred term

6-0-acetyl2-0-octadecanoy 1-alpha ,alpha-d-trehalose  

Type

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

Broader concept

charge

  • 0

formula

  • C32H58O13

inchi

  • InChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(35)44-30-28(39)26(37)23(20-41-21(2)34)43-32(30)45-31-29(40)27(38)25(36)22(19-33)42-31/h22-23,25-33,36-40H,3-20H2,1-2H3/t22-,23+,25-,26+,27+,28-,29-,30+,31-,32+/m0/s1

inchikey

  • SFXQGFQDGMHFCG-NPMFFISESA-N

mass

  • 650.803

monoisotopicmass

  • 650.38774

smiles

  • O=C(O[C@H]1[C@H](O[C@H](COC(=O)C)[C@H]([C@@H]1O)O)O[C@@H]2O[C@H]([C@H](O)[C@H]([C@@H]2O)O)CO)CCCCCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5S,6R)-6-(acetyloxymethyl)-4,5-dihydroxy-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] octadecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:204832

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