Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Pyrenebutyryl-coenzyme A
RN: 81923-89-9
InChIKey: FXJCVEBQTCSQNB-IJWBJXIQSA-N

Molecular Formula

  • C41-H50-N7-O17-P3-S

Molecular Weight

  • 1037.87
 
* 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

  • 1-Pyrenebutyryl-coenzyme A

Synonyms

  • 1-Pyrenebutyryl-coa
  • Coenzyme A, 1-pyrenebutyryl-

Systematic Name

  • Coenzyme A, S-1-pyrenebutanoate

Registry Numbers

CAS Registry Number

  • 81923-89-9

System Generated Number

  • 0081923899

Structure Descriptors

InChI

1S/C41H50N7O17P3S/c1-41(2,20-62-68(59,60)65-67(57,58)61-19-28-35(64-66(54,55)56)34(51)40(63-28)48-22-47-33-37(42)45-21-46-38(33)48)36(52)39(53)44-16-15-29(49)43-17-18-69-30(50)8-4-5-23-9-10-26-12-11-24-6-3-7-25-13-14-27(23)32(26)31(24)25/h3,6-7,9-14,21-22,28,34-36,40,51-52H,4-5,8,15-20H2,1-2H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/t28-,34-,35-,36+,40-/m1/s1

InChIKey

FXJCVEBQTCSQNB-IJWBJXIQSA-N

Smiles

c1c2c3c4c(ccc3cc1)c(CCCC(SCCNC(CCNC([C@@H](C(C)(C)CO[P@@](O[P@@](OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc3c(ncnc13)N)(O)=O)(=O)O)O)=O)=O)=O)ccc4cc2