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Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > preubetain e
... > 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 acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > preubetain e
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > preubetain e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic acid > carboxylic acid > monocarboxylic acid > fatty acid > medium-chain fatty acid > preubetain e
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > medium-chain fatty acid > preubetain e

Preferred term

preubetain e  

Type

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

Broader concept

charge

  • 0

formula

  • C18H27NO3

inchi

  • InChI=1S/C18H27NO3/c1-19-15(10-6-3-7-11-18(21)22)13-17(20)16(19)12-14-8-4-2-5-9-14/h2,4-5,8-9,15-17,20H,3,6-7,10-13H2,1H3,(H,21,22)/t15-,16+,17+/m1/s1

inchikey

  • OPWWWRSNMOKTDE-IKGGRYGDSA-N

mass

  • 305.418

monoisotopicmass

  • 305.19909

smiles

  • O=C(O)CCCCC[C@H]1N([C@@H](CC2=CC=CC=C2)[C@H](C1)O)C

subset

  • 2_STAR

synonym EXACT

  • 6-[(2R,4S,5S)-5-benzyl-4-hydroxy-1-methylpyrrolidin-2-yl]hexanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:208254

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