Difference between revisions of "3-KETOLACTOSE"

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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=3-KETOLACTOSE 3-KETOLACTOSE] == * smiles: ** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-3-METHYL-VALERATE 2-KETO-3-METHYL-VALERATE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-KETOLACTOSE 3-KETOLACTOSE] ==
 
* smiles:
 
* smiles:
** CCC(C)C(=O)C([O-])=O
+
** C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)
 
* inchi key:
 
* inchi key:
** InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
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** InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N
 
* common name:
 
* common name:
** (S)-3-methyl-2-oxopentanoate
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** 3'-ketolactose
 
* molecular weight:
 
* molecular weight:
** 129.135    
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** 340.283    
 
* Synonym(s):
 
* Synonym(s):
** (3S)-3-methyl-2-oxopentanoate
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** 3'-dehydro-β-D-galactosyl-β-D-glucopyranoside
** α-keto-methylvalerate
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** 2-oxo-3-methylvalerate
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** (S)-2-oxo-3-methylpentanoate
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** (S)-3-methyl-2-oxovalerate
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** 2-oxo-3-methylpentanoate
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** 3-methyl-2-oxopentanoate
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** α-keto-β-methyl-valerate
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** 2-keto-3-methyl-valerate
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** 2-keto-isoleucine
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[KETOLACTOSE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
 
 
== 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
 
* BIGG : 35662
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857401 6857401]
 
* 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]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27571 27571]
* METABOLIGHTS : MTBLC35146
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* KEGG-GLYCAN : G10531
{{#set: smiles=CCC(C)C(=O)C([O-])=O}}
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* LIGAND-CPD:
{{#set: inchi key=InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05403 C05403]
{{#set: common name=(S)-3-methyl-2-oxopentanoate}}
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* PUBCHEM:
{{#set: molecular weight=129.135   }}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25201057 25201057]
{{#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}}
+
* HMDB : HMDB01030
{{#set: produced by=DIHYDROXYMETVALDEHYDRAT-RXN}}
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{{#set: smiles=C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)}}
{{#set: reversible reaction associated=2KETO-3METHYLVALERATE-RXN|METHYLVALERATE-RXN|BRANCHED-CHAINAMINOTRANSFERILEU-RXN}}
+
{{#set: inchi key=InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N}}
 +
{{#set: common name=3'-ketolactose}}
 +
{{#set: molecular weight=340.283   }}
 +
{{#set: common name=3'-dehydro-β-D-galactosyl-β-D-glucopyranoside}}
 +
{{#set: consumed by=KETOLACTOSE-RXN}}

Latest revision as of 19:49, 21 March 2018

Metabolite 3-KETOLACTOSE

  • smiles:
    • C(O)C2(OC(OC1(C(CO)OC(O)C(O)C(O)1))C(O)C(=O)C(O)2)
  • inchi key:
    • InChIKey=HKKHTABTHSUDBP-GIHCHDTPSA-N
  • common name:
    • 3'-ketolactose
  • molecular weight:
    • 340.283
  • Synonym(s):
    • 3'-dehydro-β-D-galactosyl-β-D-glucopyranoside

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links