Difference between revisions of "CPD0-2461"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] == * smiles: ** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] == * smiles: ** CC(C(C([O-])=O)=O)C * inchi key: ** InCh...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-ISOVALERATE 2-KETO-ISOVALERATE] ==
 
* smiles:
 
* smiles:
−
** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)
+
** CC(C(C([O-])=O)=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M
+
** InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** pelargonidin
+
** 3-methyl-2-oxobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 269.233    
+
** 115.108    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride
+
** 2-oxo-3-methylbutanoate
−
** 3,4',5,7-tetrahydroxyflavylium chloride
+
** 2-oxoisovalerate
−
** 3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
+
** α-keto-isovaleric acid
−
** 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
+
** α-ketoisopentanoic acid
−
** Flavylium, 3,4',5,7-tetrahydroxy-, chloride
+
** α-keto-isovalerate
−
** Pelargonidin chloride
+
** α-oxoisovalerate
−
** Pelargonidol chloride
+
** α-ketovaline
 +
** 2-keto-isovalerate
 +
** 2-ketovaline
 +
** α-keto-valine
 +
** 2-oxoisopentanoate
 +
** 2-keto-3-methylbutyric acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9724]]
+
* [[MTMOHT]]
 +
* [[IPMS]]
 +
* [[2-ISOPROPYLMALATESYN-RXN]]
 +
* [[RXN-15635]]
 +
* [[R01226]]
 +
* [[1.2.1.25-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[LEUCPEL-RXN]]
+
* [[DMHL]]
 +
* [[DHAD_3mob_h]]
 +
* [[DHAD_3mob]]
 +
* [[DIHYDROXYISOVALDEHYDRAT-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[1.2.4.4-RXN]]
 +
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 +
* [[KETOPANTOALDOLASE-RXN]]
 +
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 134-04-3
+
* CAS : 759-05-7
−
* LIPID_MAPS : LMPK12010003
+
* METABOLIGHTS : MTBLC11851
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657848 90657848]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5204641 5204641]
−
* HMDB : HMDB03263
+
* HMDB : HMDB00019
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05904 C05904]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00141 C00141]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4375810.html 4375810]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25863 25863]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=11851 11851]
−
* METABOLIGHTS : MTBLC25863
+
* BIGG : 3mob
−
{{#set: smiles=C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)}}
+
{{#set: smiles=CC(C(C([O-])=O)=O)C}}
−
{{#set: inchi key=InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M}}
−
{{#set: common name=pelargonidin}}
+
{{#set: common name=3-methyl-2-oxobutanoate}}
−
{{#set: molecular weight=269.233   }}
+
{{#set: molecular weight=115.108   }}
−
{{#set: common name=3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride|3,4',5,7-tetrahydroxyflavylium chloride|3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride|1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride|Flavylium, 3,4',5,7-tetrahydroxy-, chloride|Pelargonidin chloride|Pelargonidol chloride}}
+
{{#set: common name=2-oxo-3-methylbutanoate|2-oxoisovalerate|α-keto-isovaleric acid|α-ketoisopentanoic acid|α-keto-isovalerate|α-oxoisovalerate|α-ketovaline|2-keto-isovalerate|2-ketovaline|α-keto-valine|2-oxoisopentanoate|2-keto-3-methylbutyric acid}}
−
{{#set: consumed by=RXN-9724}}
+
{{#set: consumed by=MTMOHT|IPMS|2-ISOPROPYLMALATESYN-RXN|RXN-15635|R01226|1.2.1.25-RXN}}
−
{{#set: produced by=LEUCPEL-RXN}}
+
{{#set: produced by=DMHL|DHAD_3mob_h|DHAD_3mob|DIHYDROXYISOVALDEHYDRAT-RXN}}
 +
{{#set: consumed or produced by=1.2.4.4-RXN|3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN|KETOPANTOALDOLASE-RXN|BRANCHED-CHAINAMINOTRANSFERVAL-RXN}}

Revision as of 18:38, 10 January 2018

Metabolite 2-KETO-ISOVALERATE

  • smiles:
    • CC(C(C([O-])=O)=O)C
  • inchi key:
    • InChIKey=QHKABHOOEWYVLI-UHFFFAOYSA-M
  • common name:
    • 3-methyl-2-oxobutanoate
  • molecular weight:
    • 115.108
  • Synonym(s):
    • 2-oxo-3-methylbutanoate
    • 2-oxoisovalerate
    • α-keto-isovaleric acid
    • α-ketoisopentanoic acid
    • α-keto-isovalerate
    • α-oxoisovalerate
    • α-ketovaline
    • 2-keto-isovalerate
    • 2-ketovaline
    • α-keto-valine
    • 2-oxoisopentanoate
    • 2-keto-3-methylbutyric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 759-05-7
  • METABOLIGHTS : MTBLC11851
  • PUBCHEM:
  • HMDB : HMDB00019
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : 3mob
"CC(C(C([O-])=O)=O)C" cannot be used as a page name in this wiki.




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