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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate
... > 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 > 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate
... > 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 > 12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate

Preferred term

12-(aminomethyl)-11-hydroxyhexanyl-10-phenylpropanoate  

Type

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

Broader concept

charge

  • 0

formula

  • C16H25NO3

inchi

  • InChI=1S/C16H25NO3/c1-3-14(11-17)16(19)12(2)20-15(18)10-9-13-7-5-4-6-8-13/h4-8,12,14,16,19H,3,9-11,17H2,1-2H3/t12-,14+,16+/m0/s1

inchikey

  • YGOQXDORCQDOIO-JGGQBBKZSA-N

mass

  • 279.380

monoisotopicmass

  • 279.18344

smiles

  • O=C(O[C@H]([C@@H](O)[C@@H](CN)CC)C)CCC1=CC=CC=C1

subset

  • 2_STAR

synonym EXACT

  • [(2S,3S,4R)-4-(aminomethyl)-3-hydroxyhexan-2-yl] 3-phenylpropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207859

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