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Substance Name: 3-Hydroxy-3-ethylglutaryl-coenzyme A
RN: 69925-08-2
InChIKey: JZLVGSUYGVLVTI-UHFFFAOYSA-N

Note

  • Homolog of hydroxymethylglutaryl-CoA.

Molecular Weight

  • 925.688
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-3-ethylglutaryl-coenzyme A

Synonyms

  • 3-Hydroxy-3-ethylglutaryl-coa
  • Coenzyme A, 3-hydroxy-3-ethylglutaryl-
  • Heg-coa
  • Hydroxyethylglutaryl-coa

Systematic Name

  • Coenzyme A, S-(hydrogen 3-ethyl-3-hydroxypentanedioate)

Registry Numbers

CAS Registry Number

  • 69925-08-2

System Generated Number

  • 0069925082

Structure Descriptors

InChI

1S/C28H46N7O20P3S/c1-4-28(43,9-17(37)38)10-18(39)59-8-7-30-16(36)5-6-31-25(42)22(41)27(2,3)12-52-58(49,50)55-57(47,48)51-11-15-21(54-56(44,45)46)20(40)26(53-15)35-14-34-19-23(29)32-13-33-24(19)35/h13-15,20-22,26,40-41,43H,4-12H2,1-3H3,(H,30,36)(H,31,42)(H,37,38)(H,47,48)(H,49,50)(H2,29,32,33)(H2,44,45,46)

InChIKey

JZLVGSUYGVLVTI-UHFFFAOYSA-N

Smiles

C(C[C@@](O)(CC(=O)SCCNC(CCNC([C@@H](C(CO[P@@](O[P@@](OC[C@@H]1O[C@@H](n2cnc3c(ncnc23)N)[C@@H](O)[C@@H]1OP(=O)(O)O)(=O)O)(=O)O)(C)C)O)=O)=O)CC)(=O)O