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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > 12-cys-9-nitro-octadecenoic acid
... > 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 > long-chain fatty acid > 12-cys-9-nitro-octadecenoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic acid > monocarboxylic acid > fatty acid > long-chain fatty acid > 12-cys-9-nitro-octadecenoic acid
... > 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 > long-chain fatty acid > 12-cys-9-nitro-octadecenoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid > long-chain fatty acid > 12-cys-9-nitro-octadecenoic acid

Preferred term

12-cys-9-nitro-octadecenoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C21H38N2O6S

inchi

  • InChI=1S/C21H38N2O6S/c1-2-3-4-9-12-18(30-16-19(22)21(26)27)15-14-17(23(28)29)11-8-6-5-7-10-13-20(24)25/h14,18-19H,2-13,15-16,22H2,1H3,(H,24,25)(H,26,27)/b17-14+/t18?,19-/m1/s1

inchikey

  • ZLHMTQRLEBHTLQ-FXCXZOJLSA-N

mass

  • 446.600

monoisotopicmass

  • 446.24506

smiles

  • S(C(CCCCCC)C/C=C(/[N+]([O-])=O)/CCCCCCCC(O)=O)C[C@@H](N)C(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E)-12-[(2S)-2-amino-2-carboxyethyl]sulanyl-9-nitrooctadec-9-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:184586

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