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-302 CPD-302] == * smiles: ** C(C(=O)[O-])C([N+])C(=O)[O-] * inchi key: ** InChIKey=CKLJMWTZ...")
 
(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-] * common name: **...")
 
(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=CPD-302 CPD-302] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-I-CIT HOMO-I-CIT] ==
 
* smiles:
 
* smiles:
−
** C(C(=O)[O-])C([N+])C(=O)[O-]
+
** C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
−
* inchi key:
+
−
** InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-M
+
 
* common name:
 
* common name:
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** D-aspartate
+
** (1R,2S)-homoisocitrate
 +
* inchi key:
 +
** InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
 
* molecular weight:
 
* molecular weight:
−
** 132.096    
+
** 203.128    
 
* Synonym(s):
 
* Synonym(s):
−
** D-aspartic acid
+
** (-)-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 ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[ASPARTATE-RACEMASE-RXN]]
+
* [[HOMOACONITATE-HYDRATASE-RXN]]
 +
* [[RXN-13722]]
 
== External links  ==
 
== External links  ==
−
* CAS : 1783-96-6
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460295 5460295]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459812 5459812]
−
* HMDB : HMDB06483
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00402 C00402]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573880.html 4573880]
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** [http://www.chemspider.com/Chemical-Structure.4573580.html 4573580]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29990 29990]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15404 15404]
−
* METABOLIGHTS : MTBLC29990
+
* LIGAND-CPD:
−
{{#set: smiles=C(C(=O)[O-])C([N+])C(=O)[O-]}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05662 C05662]
−
{{#set: inchi key=InChIKey=CKLJMWTZIZZHCS-UWTATZPHSA-M}}
+
{{#set: smiles=C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]}}
−
{{#set: common name=D-aspartate}}
+
{{#set: common name=(1R,2S)-homoisocitrate}}
−
{{#set: molecular weight=132.096   }}
+
{{#set: inchi key=InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K}}
−
{{#set: common name=D-aspartic acid}}
+
{{#set: molecular weight=203.128   }}
−
{{#set: consumed or produced by=ASPARTATE-RACEMASE-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=HOMOACONITATE-HYDRATASE-RXN|RXN-13722}}

Latest revision as of 20:17, 21 March 2018

Metabolite HOMO-I-CIT

  • smiles:
    • C(CC(=O)[O-])C(C(=O)[O-])C(O)C(=O)[O-]
  • common name:
    • (1R,2S)-homoisocitrate
  • inchi key:
    • InChIKey=OEJZZCGRGVFWHK-WVZVXSGGSA-K
  • 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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