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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 2-methylacyl-coa(4-) > (2s)-2-methylacyl-coa(4-) > (2s)-ibuprofenoyl-coa(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 2-methylacyl-coa(4-) > (2s)-2-methylacyl-coa(4-) > (2s)-ibuprofenoyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic anion > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 2-methylacyl-coa(4-) > (2s)-2-methylacyl-coa(4-) > (2s)-ibuprofenoyl-coa(4-)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 2-methylacyl-coa(4-) > (2s)-2-methylacyl-coa(4-) > (2s)-ibuprofenoyl-coa(4-)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organophosphate oxoanion > acyl-coa oxoanion > acyl-coa(4-) > fatty acyl-coa(4-) > branched-chain fatty acyl-coa(4-) > methyl-branched fatty acyl-coa(4-) > 2-methylacyl-coa(4-) > (2s)-2-methylacyl-coa(4-) > (2s)-ibuprofenoyl-coa(4-)

Preferred term

(2s)-ibuprofenoyl-coa(4-)  

Type

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

Broader concept

charge

  • -4

formula

  • C34H48N7O17P3S

inchi

  • InChI=1S/C34H52N7O17P3S/c1-19(2)14-21-6-8-22(9-7-21)20(3)33(46)62-13-12-36-24(42)10-11-37-31(45)28(44)34(4,5)16-55-61(52,53)58-60(50,51)54-15-23-27(57-59(47,48)49)26(43)32(56-23)41-18-40-25-29(35)38-17-39-30(25)41/h6-9,17-20,23,26-28,32,43-44H,10-16H2,1-5H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/p-4/t20-,23+,26+,27+,28-,32+/m0/s1

inchikey

  • ZWOQHSZKILPKKA-MIXAKNBRSA-J

mass

  • 951.770

monoisotopicmass

  • 951.20622

smiles

  • [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)[C@@H](C)C=4C=CC(=CC4)CC(C)C)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

subset

  • 2_STAR

synonym RELATED

  • (2S)-ibuprofenoyl-CoA
  • (2S)-ibuprofenoyl-coenzyme A(4-)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146204

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