Difference between revisions of "CPD-11408"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXALACETIC_ACID OXALACETIC_ACID] == * smiles: ** C(C([O-])=O)C(=O)C([O-])=O * inchi key: ** InC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] == * smiles: ** C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXALACETIC_ACID OXALACETIC_ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11408 CPD-11408] ==
 
* smiles:
 
* smiles:
−
** C(C([O-])=O)C(=O)C([O-])=O
+
** C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)
−
* inchi key:
+
−
** InChIKey=KHPXUQMNIQBQEV-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
−
** oxaloacetate
+
** triiodothyronine sulfate
 +
* inchi key:
 +
** InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
 
* molecular weight:
 
* molecular weight:
−
** 130.057    
+
** 730.028    
 
* Synonym(s):
 
* Synonym(s):
−
** keto-oxaloacetate
+
** triiodothyronine sulfuric ester
−
** oxaloacetic acid
+
** 3,3',5-triiodo-L-thyronine sulfate
−
** oxalacetic acid
+
** 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
−
** oxalacetate
+
** L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
 +
** (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[CSm]]
 
−
* [[PEPCARBOXYKIN-RXN]]
 
−
* [[OXALODECARB-RXN]]
 
−
* [[CSx]]
 
−
* [[CITSYN-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[PCr]]
+
* [[RXN-10615]]
−
* [[R00357]]
+
−
* [[PYRUVATE-CARBOXYLASE-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13697]]
 
−
* [[ASPAMINOTRANS-RXN]]
 
−
* [[OAACITtm]]
 
−
* [[OAAAKGtm]]
 
−
* [[MALATE-DEH-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 328-42-7
 
−
* METABOLIGHTS : MTBLC16452
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=164550 164550]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657986 90657986]
−
* HMDB : HMDB00223
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00036 C00036]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.144251.html 144251]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16452 16452]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=35432 35432]
−
* BIGG : oaa
+
* METABOLIGHTS : MTBLC35432
−
{{#set: smiles=C(C([O-])=O)C(=O)C([O-])=O}}
+
* HMDB : HMDB03036
−
{{#set: inchi key=InChIKey=KHPXUQMNIQBQEV-UHFFFAOYSA-L}}
+
{{#set: smiles=C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)}}
−
{{#set: common name=oxaloacetate}}
+
{{#set: common name=triiodothyronine sulfate}}
−
{{#set: molecular weight=130.057   }}
+
{{#set: inchi key=InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M}}
−
{{#set: common name=keto-oxaloacetate|oxaloacetic acid|oxalacetic acid|oxalacetate}}
+
{{#set: molecular weight=730.028   }}
−
{{#set: consumed by=CSm|PEPCARBOXYKIN-RXN|OXALODECARB-RXN|CSx|CITSYN-RXN}}
+
{{#set: common name=triiodothyronine sulfuric ester|3,3',5-triiodo-L-thyronine sulfate|3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine|L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-|(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid}}
−
{{#set: produced by=PCr|R00357|PYRUVATE-CARBOXYLASE-RXN}}
+
{{#set: produced by=RXN-10615}}
−
{{#set: consumed or produced by=RXN-13697|ASPAMINOTRANS-RXN|OAACITtm|OAAAKGtm|MALATE-DEH-RXN}}
+

Latest revision as of 20:37, 21 March 2018

Metabolite CPD-11408

  • smiles:
    • C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)
  • common name:
    • triiodothyronine sulfate
  • inchi key:
    • InChIKey=XBQYQXVJBNDCGY-LBPRGKRZSA-M
  • molecular weight:
    • 730.028
  • Synonym(s):
    • triiodothyronine sulfuric ester
    • 3,3',5-triiodo-L-thyronine sulfate
    • 3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine
    • L-tyrosine, 3,5-diiodo-O-(3-iodo-4-(sulfooxy)phenyl)-
    • (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CHEBI:
  • METABOLIGHTS : MTBLC35432
  • HMDB : HMDB03036
"C2(C=C(OS(=O)(=O)[O-])C(=CC(OC1(C(=CC(=CC(I)=1)CC(C(=O)[O-])[N+])I))=2)I)" cannot be used as a page name in this wiki.


  • "3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine" cannot be used as a page name in this wiki.
  • "(2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid" cannot be used as a page name in this wiki.
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