Difference between revisions of "ALLANTOATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)C...")
(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 * common name: ** allantoat...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13757 CPD-13757] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ALLANTOATE ALLANTOATE] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
+
** C(C(=O)[O-])(NC(=O)N)NC(=O)N
−
* inchi key:
+
−
** InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J
+
 
* common name:
 
* common name:
−
** 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA
+
** allantoate
 +
* inchi key:
 +
** InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 1001.785    
+
** 175.124    
 
* Synonym(s):
 
* Synonym(s):
 +
** allantoic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12750]]
+
* [[ALLANTOICASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[ALLANTOINASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 99-16-1
 +
* BIGG : alltt
 +
* DRUGBANK : DB04380
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657574 90657574]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5287444 5287444]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}}
+
* HMDB : HMDB01209
−
{{#set: inchi key=InChIKey=GXYIOJONRQGUCV-SWBALSFASA-J}}
+
* LIGAND-CPD:
−
{{#set: common name=3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydro-1H-inden-4-yl]-3-hydroxypropanoyl-CoA}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00499 C00499]
−
{{#set: molecular weight=1001.785    }}
+
* CHEMSPIDER:
−
{{#set: consumed by=RXN-12750}}
+
** [http://www.chemspider.com/Chemical-Structure.4449824.html 4449824]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17536 17536]
 +
* METABOLIGHTS : MTBLC17536
 +
{{#set: smiles=C(C(=O)[O-])(NC(=O)N)NC(=O)N}}
 +
{{#set: common name=allantoate}}
 +
{{#set: inchi key=InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=175.124    }}
 +
{{#set: common name=allantoic acid}}
 +
{{#set: consumed by=ALLANTOICASE-RXN}}
 +
{{#set: produced by=ALLANTOINASE-RXN}}

Latest revision as of 20:13, 21 March 2018

Metabolite ALLANTOATE

  • smiles:
    • C(C(=O)[O-])(NC(=O)N)NC(=O)N
  • common name:
    • allantoate
  • inchi key:
    • InChIKey=NUCLJNSWZCHRKL-UHFFFAOYSA-M
  • 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 : alltt
  • 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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