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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > o-acylcarnitine > 3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate
organooxygen compound > carbonyl compound > carboxylic ester > o-acylcarnitine > 3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > quaternary nitrogen compound > ammonium betaine > o-acylcarnitine > 3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > onium betaine > ammonium betaine > o-acylcarnitine > 3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > ammonium betaine > o-acylcarnitine > 3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate

Preferred term

3-[(3-hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C20H39NO5

inchi

  • InChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-13-17(22)14-20(25)26-18(15-19(23)24)16-21(2,3)4/h17-18,22H,5-16H2,1-4H3

inchikey

  • DOFFCMLMRQLXPK-UHFFFAOYSA-N

mass

  • 373.534

monoisotopicmass

  • 373.28282

smiles

  • O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC(O)CCCCCCCCCC

subset

  • 2_STAR

synonym EXACT

  • 3-(3-hydroxytridecanoyloxy)-4-(trimethylazaniumyl)butanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177821

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