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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > 1-o-cerotoyl-cer(d18:1/18:0)
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > 1-o-cerotoyl-cer(d18:1/18:0)
... > 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 > 1-o-cerotoyl-cer(d18:1/18:0)
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 1-o-cerotoyl-cer(d18:1/18:0)
... > 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 > 1-o-cerotoyl-cer(d18:1/18:0)

Preferred term

1-o-cerotoyl-cer(d18:1/18:0)  

Type

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

Broader concept

charge

  • 0

formula

  • C62H121NO4

inchi

  • InChI=1S/C62H121NO4/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-39-42-45-48-51-54-57-62(66)67-58-59(60(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)63-61(65)56-53-50-47-44-41-38-35-26-23-20-17-14-11-8-5-2/h52,55,59-60,64H,4-51,53-54,56-58H2,1-3H3,(H,63,65)/b55-52+/t59-,60+/m0/s1

inchikey

  • ATNDGCIAZHEVAS-BSMXZJJGSA-N

mass

  • 944.653

monoisotopicmass

  • 943.92956

smiles

  • O(C[C@H](NC(=O)CCCCCCCCCCCCCCCCC)[C@H](O)/C=C/CCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] hexacosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186452

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