Difference between revisions of "Tiso gene 13541"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-3-METHYL-VALERATE 2-KETO-3-METHYL-VALERATE] == * smiles: ** CCC(C)C(=O)C([O-])=O * inchi...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-715 CPD-715] == * smiles: ** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-3-METHYL-VALERATE 2-KETO-3-METHYL-VALERATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-715 CPD-715] ==
 
* smiles:
 
* smiles:
−
** CCC(C)C(=O)C([O-])=O
+
** CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
+
** InChIKey=WPHVOXMMNSLJSF-GUOPQYDVSA-N
 
* common name:
 
* common name:
−
** (S)-3-methyl-2-oxopentanoate
+
** 6-deoxoteasterone
 
* molecular weight:
 
* molecular weight:
−
** 129.135    
+
** 434.701    
 
* Synonym(s):
 
* Synonym(s):
−
** (3S)-3-methyl-2-oxopentanoate
+
** deoxoteasterone
−
** α-keto-methylvalerate
+
−
** 2-oxo-3-methylvalerate
+
−
** (S)-2-oxo-3-methylpentanoate
+
−
** (S)-3-methyl-2-oxovalerate
+
−
** 2-oxo-3-methylpentanoate
+
−
** 3-methyl-2-oxopentanoate
+
−
** α-keto-β-methyl-valerate
+
−
** 2-keto-3-methyl-valerate
+
−
** 2-keto-isoleucine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-775]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
+
* [[RXN-774]]
−
* [[DHAD]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2KETO-3METHYLVALERATE-RXN]]
 
−
* [[METHYLVALERATE-RXN]]
 
−
* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 1460-34-0
+
* LIPID_MAPS : LMST01030120
−
* METABOLIGHTS : MTBLC35146
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857401 6857401]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11144580 11144580]
−
* HMDB : HMDB00491
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00671 C00671]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.19951083.html 19951083]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35146 35146]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=20716 20716]
−
* BIGG : 3mop
+
* LIGAND-CPD:
−
{{#set: smiles=CCC(C)C(=O)C([O-])=O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15799 C15799]
−
{{#set: inchi key=InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M}}
+
{{#set: smiles=CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
{{#set: common name=(S)-3-methyl-2-oxopentanoate}}
+
{{#set: inchi key=InChIKey=WPHVOXMMNSLJSF-GUOPQYDVSA-N}}
−
{{#set: molecular weight=129.135   }}
+
{{#set: common name=6-deoxoteasterone}}
−
{{#set: common name=(3S)-3-methyl-2-oxopentanoate|α-keto-methylvalerate|2-oxo-3-methylvalerate|(S)-2-oxo-3-methylpentanoate|(S)-3-methyl-2-oxovalerate|2-oxo-3-methylpentanoate|3-methyl-2-oxopentanoate|α-keto-β-methyl-valerate|2-keto-3-methyl-valerate|2-keto-isoleucine}}
+
{{#set: molecular weight=434.701   }}
−
{{#set: produced by=DIHYDROXYMETVALDEHYDRAT-RXN|DHAD}}
+
{{#set: common name=deoxoteasterone}}
−
{{#set: consumed or produced by=2KETO-3METHYLVALERATE-RXN|METHYLVALERATE-RXN|BRANCHED-CHAINAMINOTRANSFERILEU-RXN}}
+
{{#set: consumed by=RXN-775}}
 +
{{#set: produced by=RXN-774}}

Revision as of 18:53, 18 March 2018

Metabolite CPD-715

  • smiles:
    • CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=WPHVOXMMNSLJSF-GUOPQYDVSA-N
  • common name:
    • 6-deoxoteasterone
  • molecular weight:
    • 434.701
  • Synonym(s):
    • deoxoteasterone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)C(C)C(O)C(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.




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