Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Tolylacetyl-coenzyme A
RN: 124900-43-2
InChIKey: NKSKBWZEZMJLSI-FUEUKBNZSA-N

Molecular Formula

  • C30-H44-N7-O17-P3-S

Molecular Weight

  • 899.6976
 
* 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

  • 3-Tolylacetyl-coenzyme A

Synonyms

  • 3-Tolylacetyl-coa
  • Coenzyme A, 3-tolylacetyl-
  • m-Tolylacetyl-coenzyme A

Systematic Name

  • Coenzyme A, S-(3-methylbenzeneacetate)

Registry Numbers

CAS Registry Number

  • 124900-43-2

System Generated Number

  • 0124900432

Structure Descriptors

InChI

1S/C30H44N7O17P3S/c1-17-5-4-6-18(11-17)12-21(39)58-10-9-32-20(38)7-8-33-28(42)25(41)30(2,3)14-51-57(48,49)54-56(46,47)50-13-19-24(53-55(43,44)45)23(40)29(52-19)37-16-36-22-26(31)34-15-35-27(22)37/h4-6,11,15-16,19,23-25,29,40-41H,7-10,12-14H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,23-,24-,25+,29-/m1/s1

InChIKey

NKSKBWZEZMJLSI-FUEUKBNZSA-N

Smiles

Cc1cccc(c1)CC(=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