Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: alpha-Methylaconitate
RN: 6061-93-4
InChIKey: NUZLRKBHOBPTQV-ARJAWSKDSA-N

Note

  • Substrate for aconitase.

Molecular Formula

  • C7-H8-O6

Molecular Weight

  • 188.1342
 
* 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

  • alpha-Methylaconitate

Synonyms

  • alpha-Methyl-cis-aconitate
  • cis-2-Butene-1,2,3-tricarboxylic acid

Systematic Name

  • 2-Butene-1,2,3-tricarboxylic acid, (Z)-

Registry Numbers

CAS Registry Number

  • 6061-93-4

System Generated Number

  • 0006061934

Structure Descriptors

InChI

1S/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)/b4-3-

InChIKey

NUZLRKBHOBPTQV-ARJAWSKDSA-N

Smiles

C/C(=C(\CC(=O)O)/C(=O)O)/C(=O)O