Difference between revisions of "2K-4CH3-PENTANOATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYL-P4 ADENOSYL-P4] == * smiles: ** C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-4CH3-PENTANOATE 2K-4CH3-PENTANOATE] == * smiles: ** CC(C)CC(C([O-])=O)=O * inchi key: ** InC...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ADENOSYL-P4 ADENOSYL-P4] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=2K-4CH3-PENTANOATE 2K-4CH3-PENTANOATE] ==
 
* smiles:
 
* smiles:
−
** C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(OCC4(C(C(C(O4)N6(C=NC5(C(=NC=NC=56)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O
+
** CC(C)CC(C([O-])=O)=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=YOAHKNVSNCMZGQ-XPWFQUROSA-J
+
** InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 5',5'''-diadenosine tetraphosphate
+
** 4-methyl-2-oxopentanoate
 
* molecular weight:
 
* molecular weight:
−
** 832.36    
+
** 129.135    
 
* Synonym(s):
 
* Synonym(s):
−
** Ap4A
+
** 2-keto-4-methyl-pentanoate
−
** AppppA
+
** 2-oxoisocaproate
−
** P(1),P(4)-bis(5'-adenosyl)tetraphosphate
+
** 2-oxo-4-methylpentanoate
−
** P1,P4-bis(5'-adenosyl)tetraphosphate
+
** α-ketoisocaproate
 +
** α-oxoisocaproate
 +
** 2-ketoisocaproate
 +
** ketoleucine
 +
** 4-methyl-2-oxopentanoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[KETOISOCAPROATE-RXN]]
 +
* [[2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-7800]]
 +
* [[RXN-13158]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ATP-ADENYLYLTRANSFERASE-RXN]]
+
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 1484745
+
* CAS : 816-66-0
 +
* BIGG : 34334
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25243905 25243905]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3527278 3527278]
−
* HMDB : HMDB01211
+
* HMDB : HMDB00695
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01260 C01260]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00233 C00233]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.2766269.html 2766269]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58141 58141]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17865 17865]
−
* METABOLIGHTS : MTBLC58141
+
* METABOLIGHTS : MTBLC17865
−
{{#set: smiles=C(C1(C(C(C(O1)N3(C=NC2(C(=NC=NC=23)N)))O)O))OP(OP(OP(OP(OCC4(C(C(C(O4)N6(C=NC5(C(=NC=NC=56)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O}}
+
{{#set: smiles=CC(C)CC(C([O-])=O)=O}}
−
{{#set: inchi key=InChIKey=YOAHKNVSNCMZGQ-XPWFQUROSA-J}}
+
{{#set: inchi key=InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M}}
−
{{#set: common name=5',5'''-diadenosine tetraphosphate}}
+
{{#set: common name=4-methyl-2-oxopentanoate}}
−
{{#set: molecular weight=832.36   }}
+
{{#set: molecular weight=129.135   }}
−
{{#set: common name=Ap4A|AppppA|P(1),P(4)-bis(5'-adenosyl)tetraphosphate|P1,P4-bis(5'-adenosyl)tetraphosphate}}
+
{{#set: common name=2-keto-4-methyl-pentanoate|2-oxoisocaproate|2-oxo-4-methylpentanoate|α-ketoisocaproate|α-oxoisocaproate|2-ketoisocaproate|ketoleucine|4-methyl-2-oxopentanoic acid}}
−
{{#set: reversible reaction associated=ATP-ADENYLYLTRANSFERASE-RXN}}
+
{{#set: consumed by=KETOISOCAPROATE-RXN|2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}}
 +
{{#set: produced by=RXN-7800|RXN-13158}}
 +
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERLEU-RXN}}

Revision as of 13:58, 21 March 2018

Metabolite 2K-4CH3-PENTANOATE

  • smiles:
    • CC(C)CC(C([O-])=O)=O
  • inchi key:
    • InChIKey=BKAJNAXTPSGJCU-UHFFFAOYSA-M
  • common name:
    • 4-methyl-2-oxopentanoate
  • molecular weight:
    • 129.135
  • Synonym(s):
    • 2-keto-4-methyl-pentanoate
    • 2-oxoisocaproate
    • 2-oxo-4-methylpentanoate
    • α-ketoisocaproate
    • α-oxoisocaproate
    • 2-ketoisocaproate
    • ketoleucine
    • 4-methyl-2-oxopentanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 816-66-0
  • BIGG : 34334
  • PUBCHEM:
  • HMDB : HMDB00695
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17865
"CC(C)CC(C([O-])=O)=O" cannot be used as a page name in this wiki.




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