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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: StdInChI StdInChIKey.
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Updating {{chembox}} (no changed fields - added verified revid - updated 'UNII_Ref', 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report [[Wikipedia_talk:Wi
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{{DISPLAYTITLE:''alpha''-Ketoadipic acid}}
{{DISPLAYTITLE:''alpha''-Ketoadipic acid}}
{{chembox
{{chembox
| verifiedrevid = 399497865
|ImageFile=Alpha-ketoadipic acid.svg
|ImageFile=Alpha-ketoadipic acid.svg
|ImageName=Skeletal formula
|ImageName=Skeletal formula
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|Reference=<ref>[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71 2-oxoadipate - Compound Summary], [[PubChem]].</ref>
|Reference=<ref>[http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71 2-oxoadipate - Compound Summary], [[PubChem]].</ref>
|Section1={{Chembox Identifiers
|Section1={{Chembox Identifiers
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 70
| ChemSpiderID = 70
| InChI = 1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
| InChI = 1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
| InChIKey = FGSBNBBHOZHUBO-UHFFFAOYAU
| InChIKey = FGSBNBBHOZHUBO-UHFFFAOYAU
| SMILES1 = O=C(C(=O)O)CCCC(=O)O
| SMILES1 = O=C(C(=O)O)CCCC(=O)O
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
| StdInChI = 1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = FGSBNBBHOZHUBO-UHFFFAOYSA-N
| StdInChIKey = FGSBNBBHOZHUBO-UHFFFAOYSA-N
| CASNo=3184-35-8
| CASNo=3184-35-8

Revision as of 11:03, 29 November 2010

α-Ketoadipic acid[1]
Skeletal formula
Ball-and-stick model
Names
IUPAC name
2-oxohexanedioic acid
Other names
α-Ketoadipate; 2-oxoadipate
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.164.320 Edit this at Wikidata
MeSH alpha-ketoadipic+acid
  • InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11) checkY
    Key: FGSBNBBHOZHUBO-UHFFFAOYSA-N checkY
  • InChI=1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
    Key: FGSBNBBHOZHUBO-UHFFFAOYAU
  • C(CC(=O)C(=O)O)CC(=O)O
  • O=C(C(=O)O)CCCC(=O)O
Properties
C6H8O5
Molar mass 160.12472
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)

α-Ketoadipic acid (or 2-oxoadipate) is an intermediate in the metabolism of lysine.

See also

References


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