Difference between revisions of "Tiso gene 1586"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC...")
(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 * commo...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OH-HEXANOYL-COA OH-HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2-KETO-3-METHYL-VALERATE 2-KETO-3-METHYL-VALERATE] ==
 
* smiles:
 
* smiles:
−
** CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O
+
** CCC(C)C(=O)C([O-])=O
−
* inchi key:
+
−
** InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J
+
 
* common name:
 
* common name:
−
** (S)-3-hydroxyhexanoyl-CoA
+
** (S)-3-methyl-2-oxopentanoate
 +
* inchi key:
 +
** InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
 
* molecular weight:
 
* molecular weight:
−
** 877.646    
+
** 129.135    
 
* Synonym(s):
 
* Synonym(s):
−
** OH-hexanoyl-CoA
+
** (3S)-3-methyl-2-oxopentanoate
−
** 3-OH-hexanoyl-CoA
+
** 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 ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12570]]
+
* [[DIHYDROXYMETVALDEHYDRAT-RXN]]
 +
* [[DHAD]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2KETO-3METHYLVALERATE-RXN]]
 +
* [[METHYLVALERATE-RXN]]
 +
* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
 
== External links  ==
 
== External links  ==
−
* METABOLIGHTS : MTBLC28276
+
* CAS : 1460-34-0
−
* LIPID_MAPS : LMFA07050017
+
* BIGG : 3mop
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49859661 49859661]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857401 6857401]
−
* HMDB : HMDB03942
+
* HMDB : HMDB00491
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05268 C05268]
+
** [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=28276 28276]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35146 35146]
−
* BIGG : 3hhcoa
+
* METABOLIGHTS : MTBLC35146
−
{{#set: smiles=CCCC(CC(SCCNC(CCNC(C(C(COP(=O)([O-])OP(OCC1(OC(C(C1OP([O-])([O-])=O)O)N3(C=NC2(C(=NC=NC=23)N))))([O-])=O)(C)C)O)=O)=O)=O)O}}
+
{{#set: smiles=CCC(C)C(=O)C([O-])=O}}
−
{{#set: inchi key=InChIKey=VAAHKRMGOFIORX-DWUFXMDISA-J}}
+
{{#set: common name=(S)-3-methyl-2-oxopentanoate}}
−
{{#set: common name=(S)-3-hydroxyhexanoyl-CoA}}
+
{{#set: inchi key=InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M}}
−
{{#set: molecular weight=877.646   }}
+
{{#set: molecular weight=129.135   }}
−
{{#set: common name=OH-hexanoyl-CoA|3-OH-hexanoyl-CoA}}
+
{{#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: produced by=RXN-12570}}
+
{{#set: produced by=DIHYDROXYMETVALDEHYDRAT-RXN|DHAD}}
 +
{{#set: reversible reaction associated=2KETO-3METHYLVALERATE-RXN|METHYLVALERATE-RXN|BRANCHED-CHAINAMINOTRANSFERILEU-RXN}}

Revision as of 16:54, 21 March 2018

Metabolite 2-KETO-3-METHYL-VALERATE

  • smiles:
    • CCC(C)C(=O)C([O-])=O
  • common name:
    • (S)-3-methyl-2-oxopentanoate
  • inchi key:
    • InChIKey=JVQYSWDUAOAHFM-BYPYZUCNSA-M
  • molecular weight:
    • 129.135
  • Synonym(s):
    • (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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 1460-34-0
  • BIGG : 3mop
  • PUBCHEM:
  • HMDB : HMDB00491
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC35146
"CCC(C)C(=O)C([O-])=O" cannot be used as a page name in this wiki.




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