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Substance Name: 3-Hydroxy-3-methyl-4-carboxybutyl-coenzyme A
RN: 78901-91-4
InChIKey: WJVWFKKGYOZUEZ-PQMUVBQJSA-N

Note

  • Inhibitor of 3-hydroxy-4-methylglutaryl-CoA reductase.

Molecular Weight

  • 897.678
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxy-3-methyl-4-carboxybutyl-coenzyme A

Synonyms

  • 3-Hydroxy-3-methyl-4-carboxybutyl-coa
  • Coenzyme A, 3-hydroxy-3-methyl-4-carboxybutyl-
  • Hmcb-coa

Systematic Name

  • Coenzyme A, S-(4-carboxy-3-hydroxy-3-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 78901-91-4

System Generated Number

  • 0078901914

Structure Descriptors

InChI

1S/C27H46N7O19P3S/c1-26(2,21(39)24(40)30-6-4-16(35)29-7-9-57-8-5-27(3,41)10-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-20(52-54(42,43)44)19(38)25(51-15)34-14-33-18-22(28)31-13-32-23(18)34/h13-15,19-21,25,38-39,41H,4-12H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t15-,19-,20-,21+,25-,27+/m1/s1

InChIKey

WJVWFKKGYOZUEZ-PQMUVBQJSA-N

Smiles

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