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Substance Name: Valproyl-adenylic acid
RN: 140233-88-1
InChIKey: WIBHCYGIEDIFDO-LSCFUAHRSA-N

Note

  • Cellular metabolite of valproic acid.

Molecular Formula

  • C18-H28-N5-O8-P

Molecular Weight

  • 473.4202
 
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Names and Synonyms

Name of Substance

  • Valproyl-adenylic acid

Synonym

  • Valproyl-amp

Systematic Name

  • 5'-Adenylic acid, monoanhydride with 2-propylpentanoic acid

Registry Numbers

CAS Registry Number

  • 140233-88-1

System Generated Number

  • 0140233881

Structure Descriptors

InChI

1S/C18H28N5O8P/c1-3-5-10(6-4-2)18(26)31-32(27,28)29-7-11-13(24)14(25)17(30-11)23-9-22-12-15(19)20-8-21-16(12)23/h8-11,13-14,17,24-25H,3-7H2,1-2H3,(H,27,28)(H2,19,20,21)/t11-,13-,14-,17-/m1/s1

InChIKey

WIBHCYGIEDIFDO-LSCFUAHRSA-N

Smiles

CCCC(CCC)C(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O