Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ibuprofenyl-coenzyme A
RN: 135027-64-4
InChIKey: AUWPNTKLVZJJLA-FTEDYNDWSA-N

Molecular Formula

  • C34-H52-N7-O17-P3-S

Molecular Weight

  • 955.8048
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ibuprofenyl-coenzyme A

Synonyms

  • 2-(4-Isobutylphenyl)propionyl-coa
  • Coenzyme A, ibuprofenyl-
  • Ibuprofenyl-coa

Systematic Name

  • Coenzyme A, S-(alpha-methyl-4-(2-methylpropyl)benzenacetate), (S)-

Registry Numbers

CAS Registry Number

  • 135027-64-4

System Generated Number

  • 0135027644

Structure Descriptors

InChI

1S/C34H52N7O17P3S/c1-19(20-7-9-21(10-8-20)33(2,3)4)32(46)62-14-13-36-23(42)11-12-37-30(45)27(44)34(5,6)16-55-61(52,53)58-60(50,51)54-15-22-26(57-59(47,48)49)25(43)31(56-22)41-18-40-24-28(35)38-17-39-29(24)41/h7-10,17-19,22,25-27,31,43-44H,11-16H2,1-6H3,(H,36,42)(H,37,45)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/t19-,22+,25+,26+,27-,31+/m0/s1

InChIKey

AUWPNTKLVZJJLA-FTEDYNDWSA-N

Smiles

C[C@@H](c1ccc(cc1)C(C)(C)C)C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)OP(=O)(O)O)O