Difference between revisions of "HOMO-I-CIT"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14736 CPD-14736] == * smiles: ** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1) * inchi key: ** I...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] == * smiles: ** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-] * inchi key: ** I...")
 
(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=CPD-14736 CPD-14736] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)
+
** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N
+
** InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
 
* common name:
 
* common name:
−
** L-kynurenine
+
** (1R,2S)-homoisocitrate
 
* molecular weight:
 
* molecular weight:
−
** 208.216    
+
** 203.128    
 
* Synonym(s):
 
* Synonym(s):
−
** kynurenine
+
** (-)-threo-isohomocitrate
 +
** (-)-1-hydroxy-1,2,4-butanetricarboxylate
 +
** homo-I-cit
 +
** 1-hydroxy-1,2,4-butanetricarboxylate
 +
** 2-hydroxy-3-carboxyadipate
 +
** homo-iso-citrate
 +
** 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
 +
** 1-hydroxybutane-1,2,4-tricarboxylate
 +
** (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
 +
** homoisocitrate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[KYNURENINE-3-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[HOMOACONITATE-HYDRATASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.6.1.7-RXN]]
+
* [[RXN-13722]]
 
== External links  ==
 
== External links  ==
−
* CAS : 343-65-7
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6971029 6971029]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459812 5459812]
−
* HMDB : HMDB00684
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.4573580.html 4573580]
−
** [http://www.genome.jp/dbget-bin/www_bget?C01718 C01718]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57959 57959]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15404 15404]
−
* METABOLIGHTS : MTBLC57959
+
* LIGAND-CPD:
−
{{#set: smiles=C(=O)([O-])C([N+])CC(=O)C1(=C(N)C=CC=C1)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05662 C05662]
−
{{#set: inchi key=InChIKey=YGPSJZOEDVAXAB-QMMMGPOBSA-N}}
+
{{#set: smiles=C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]}}
−
{{#set: common name=L-kynurenine}}
+
{{#set: inchi key=InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K}}
−
{{#set: molecular weight=208.216   }}
+
{{#set: common name=(1R,2S)-homoisocitrate}}
−
{{#set: common name=kynurenine}}
+
{{#set: molecular weight=203.128   }}
−
{{#set: consumed by=KYNURENINE-3-MONOOXYGENASE-RXN}}
+
{{#set: common name=(-)-threo-isohomocitrate|(-)-1-hydroxy-1,2,4-butanetricarboxylate|homo-I-cit|1-hydroxy-1,2,4-butanetricarboxylate|2-hydroxy-3-carboxyadipate|homo-iso-citrate|1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid|1-hydroxybutane-1,2,4-tricarboxylate|(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate|homoisocitrate}}
−
{{#set: reversible reaction associated=2.6.1.7-RXN}}
+
{{#set: produced by=HOMOACONITATE-HYDRATASE-RXN}}
 +
{{#set: reversible reaction associated=RXN-13722}}

Latest revision as of 19:54, 21 March 2018

Metabolite HOMO-I-CIT

  • smiles:
    • C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
  • inchi key:
    • InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
  • common name:
    • (1R,2S)-homoisocitrate
  • molecular weight:
    • 203.128
  • Synonym(s):
    • (-)-threo-isohomocitrate
    • (-)-1-hydroxy-1,2,4-butanetricarboxylate
    • homo-I-cit
    • 1-hydroxy-1,2,4-butanetricarboxylate
    • 2-hydroxy-3-carboxyadipate
    • homo-iso-citrate
    • 1-(R)-hydroxy-2-(S)-1,2,4-butanetricarboxylic acid
    • 1-hydroxybutane-1,2,4-tricarboxylate
    • (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate
    • homoisocitrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-" cannot be used as a page name in this wiki.




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