Difference between revisions of "ILE"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRAZINOIC-ACID PYRAZINOIC-ACID] == * smiles: ** C1(N=CC=NC=1C([O-])=O) * inchi key: ** InChIKe...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ILE ILE] == * smiles: ** CCC(C)C([N+])C(=O)[O-] * inchi key: ** InChIKey=AGPKZVBTJJNPAG-WHFBIAK...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PYRAZINOIC-ACID PYRAZINOIC-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ILE ILE] ==
 
* smiles:
 
* smiles:
** C1(N=CC=NC=1C([O-])=O)
+
** CCC(C)C([N+])C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M
+
** InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N
 
* common name:
 
* common name:
** pyrazine-2-carboxylate
+
** L-isoleucine
 
* molecular weight:
 
* molecular weight:
** 123.091    
+
** 131.174    
 
* Synonym(s):
 
* Synonym(s):
** pyrazinoate
+
** I
** pyrazinoic acid
+
** ile
** pyrazinecarboxylic acid
+
** iso-leucine
** pyrazinemonocarboxylic acid
+
** L-ile
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[ISOLEUCINE--TRNA-LIGASE-RXN]]
 +
* [[biomass_rxn]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[PYRAZIN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[BRANCHED-CHAINAMINOTRANSFERILEU-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 73-32-5
 +
* BIGG : 34887
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=3728869 3728869]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=7043901 7043901]
* CHEMSPIDER:
+
* HMDB : HMDB00172
** [http://www.chemspider.com/Chemical-Structure.2959374.html 2959374]
+
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00407 C00407]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71266 71266]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58045 58045]
* NCI:
+
* METABOLIGHTS : MTBLC58045
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=27192 27192]
+
{{#set: smiles=CCC(C)C([N+])C(=O)[O-]}}
{{#set: smiles=C1(N=CC=NC=1C([O-])=O)}}
+
{{#set: inchi key=InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N}}
{{#set: inchi key=InChIKey=NIPZZXUFJPQHNH-UHFFFAOYSA-M}}
+
{{#set: common name=L-isoleucine}}
{{#set: common name=pyrazine-2-carboxylate}}
+
{{#set: molecular weight=131.174   }}
{{#set: molecular weight=123.091   }}
+
{{#set: common name=I|ile|iso-leucine|L-ile}}
{{#set: common name=pyrazinoate|pyrazinoic acid|pyrazinecarboxylic acid|pyrazinemonocarboxylic acid}}
+
{{#set: consumed by=ISOLEUCINE--TRNA-LIGASE-RXN|biomass_rxn}}
{{#set: produced by=PYRAZIN-RXN}}
+
{{#set: reversible reaction associated=BRANCHED-CHAINAMINOTRANSFERILEU-RXN}}

Latest revision as of 19:41, 21 March 2018

Metabolite ILE

  • smiles:
    • CCC(C)C([N+])C(=O)[O-]
  • inchi key:
    • InChIKey=AGPKZVBTJJNPAG-WHFBIAKZSA-N
  • common name:
    • L-isoleucine
  • molecular weight:
    • 131.174
  • Synonym(s):
    • I
    • ile
    • iso-leucine
    • L-ile

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 73-32-5
  • BIGG : 34887
  • PUBCHEM:
  • HMDB : HMDB00172
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC58045
"CCC(C)C([N+])C(=O)[O-" cannot be used as a page name in this wiki.