Difference between revisions of "CPD0-181"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] == * smiles: ** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O * inchi key: ** InChI...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-181 CPD0-181] == * smiles: ** C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HOMO-CIT HOMO-CIT] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-181 CPD0-181] ==
 
* smiles:
 
* smiles:
−
** C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O
+
** C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)
−
* inchi key:
+
−
** InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K
+
 
* common name:
 
* common name:
−
** (2R)-homocitrate
+
** N5-carboxyaminoimidazole ribonucleotide
 +
* inchi key:
 +
** InChIKey=JHLXDWGVSYMXPL-XVFCMESISA-K
 
* molecular weight:
 
* molecular weight:
−
** 203.128    
+
** 336.174    
 
* Synonym(s):
 
* Synonym(s):
−
** 2-hydroxybutane-1,2,4-tricarboxylate
+
** 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
−
** homocitric acid
+
** 5-phosphoribosyl-5-carboxyaminoimidazole
−
** 3-hydroxy-3-carboxyadipic acid
+
** N5-CAIR
−
** (2R)-2-hydroxybutane-1,2,4-tricarboxylate
+
−
** (R)-2-hydroxybutane-1,2,4-tricarboxylate
+
−
** homocitrate
+
−
** (R)-homocitrate
+
  
 
== 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 ==
 +
* [[RXN0-742]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13722]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 3562-74-1
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20849228 20849228]
 
−
* HMDB : HMDB03518
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01251 C01251]
+
** [http://www.genome.jp/dbget-bin/www_bget?C15667 C15667]
−
* CHEMSPIDER:
+
* HMDB : HMDB12268
−
** [http://www.chemspider.com/Chemical-Structure.20171681.html 20171681]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58884 58884]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58730 58730]
−
{{#set: smiles=C(C([O-])=O)CC(O)(C([O-])=O)CC([O-])=O}}
+
* BIGG : 5caiz
−
{{#set: inchi key=InChIKey=XKJVEVRQMLKSMO-SSDOTTSWSA-K}}
+
* PUBCHEM:
−
{{#set: common name=(2R)-homocitrate}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202011 25202011]
−
{{#set: molecular weight=203.128   }}
+
{{#set: smiles=C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)}}
−
{{#set: common name=2-hydroxybutane-1,2,4-tricarboxylate|homocitric acid|3-hydroxy-3-carboxyadipic acid|(2R)-2-hydroxybutane-1,2,4-tricarboxylate|(R)-2-hydroxybutane-1,2,4-tricarboxylate|homocitrate|(R)-homocitrate}}
+
{{#set: common name=N5-carboxyaminoimidazole ribonucleotide}}
−
{{#set: consumed or produced by=RXN-13722}}
+
{{#set: inchi key=InChIKey=JHLXDWGVSYMXPL-XVFCMESISA-K}}
 +
{{#set: molecular weight=336.174   }}
 +
{{#set: common name=5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole|5-phosphoribosyl-5-carboxyaminoimidazole|N5-CAIR}}
 +
{{#set: produced by=RXN0-742}}

Latest revision as of 20:03, 21 March 2018

Metabolite CPD0-181

  • smiles:
    • C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)
  • common name:
    • N5-carboxyaminoimidazole ribonucleotide
  • inchi key:
    • InChIKey=JHLXDWGVSYMXPL-XVFCMESISA-K
  • molecular weight:
    • 336.174
  • Synonym(s):
    • 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
    • 5-phosphoribosyl-5-carboxyaminoimidazole
    • N5-CAIR

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2)" cannot be used as a page name in this wiki.



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