Difference between revisions of "Ec-01 004520"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] == * smiles: ** CC(C([O-])=O)CO * inchi key: ** InChIKey=DBXBTMSZEOQQDU-VK...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] == * smiles: ** C(C(=O)[O-])(NC(=O)N)NC(=O)N * inchi key: ** InChIKey=NU...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12175 CPD-12175] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] ==
 
* smiles:
 
* smiles:
−
** CC(C([O-])=O)CO
+
** C(C(=O)[O-])(NC(=O)N)NC(=O)N
 
* inchi key:
 
* inchi key:
−
** InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M
+
** InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-isobutanoate
+
** allantoate
 
* molecular weight:
 
* molecular weight:
−
** 103.097    
+
** 175.124    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-2-methylpropanoate
+
** allantoic acid
−
** (S)-3-Hydroxyisobutyric acid
+
−
** (S)-3-OH-iso-but
+
−
** (S)-3-OH-isobutyrate
+
−
** (S)-3-hydroxy-isobutyrate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN]]
+
* [[ALLANTOICASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]]
+
* [[ALLANTOINASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 99-16-1
 +
* BIGG : 35164
 +
* DRUGBANK : DB04380
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=18637352 18637352]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5287444 5287444]
−
* CHEBI:
+
* HMDB : HMDB01209
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62638 62638]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06001 C06001]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00499 C00499]
−
* HMDB : HMDB00023
+
* CHEMSPIDER:
−
{{#set: smiles=CC(C([O-])=O)CO}}
+
** [http://www.chemspider.com/Chemical-Structure.4449824.html 4449824]
−
{{#set: inchi key=InChIKey=DBXBTMSZEOQQDU-VKHMYHEASA-M}}
+
* CHEBI:
−
{{#set: common name=(S)-3-hydroxy-isobutanoate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17536 17536]
−
{{#set: molecular weight=103.097   }}
+
* METABOLIGHTS : MTBLC17536
−
{{#set: common name=(S)-3-hydroxy-2-methylpropanoate|(S)-3-Hydroxyisobutyric acid|(S)-3-OH-iso-but|(S)-3-OH-isobutyrate|(S)-3-hydroxy-isobutyrate}}
+
{{#set: smiles=C(C(=O)[O-])(NC(=O)N)NC(=O)N}}
−
{{#set: consumed by=3-HYDROXYISOBUTYRATE-DEHYDROGENASE-RXN}}
+
{{#set: inchi key=InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M}}
−
{{#set: produced by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
+
{{#set: common name=allantoate}}
 +
{{#set: molecular weight=175.124   }}
 +
{{#set: common name=allantoic acid}}
 +
{{#set: consumed by=ALLANTOICASE-RXN}}
 +
{{#set: produced by=ALLANTOINASE-RXN}}

Revision as of 21:51, 17 March 2018

Metabolite ALLANTOATE

  • smiles:
    • C(C(=O)[O-])(NC(=O)N)NC(=O)N
  • inchi key:
    • InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
  • common name:
    • allantoate
  • molecular weight:
    • 175.124
  • Synonym(s):
    • allantoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 99-16-1
  • BIGG : 35164
  • DRUGBANK : DB04380
  • PUBCHEM:
  • HMDB : HMDB01209
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17536
"C(C(=O)[O-])(NC(=O)N)NC(=O)N" cannot be used as a page name in this wiki.




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