Difference between revisions of "SULFATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SULFATE SULFATE] == * smiles: ** O=S(=O)([O-])[O-] * inchi key: ** InChIKey=QAOWNCQODCNURD-UHFF...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9699 CPD-9699] == * smiles: ** C=C1(C(CC([N+])C([O-])=O)C1) * inchi key: ** InChIKey=OOJZCX...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SULFATE SULFATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9699 CPD-9699] ==
 
* smiles:
 
* smiles:
−
** O=S(=O)([O-])[O-]
+
** C=C1(C(CC([N+])C([O-])=O)C1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L
+
** InChIKey=OOJZCXFXPZGUBJ-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** sulfate
+
** hypoglycin A
 
* molecular weight:
 
* molecular weight:
−
** 96.058    
+
** 141.169    
 
* Synonym(s):
 
* Synonym(s):
−
** sulfuric acid
+
** hypoglycine
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** H2SO4
+
** hypoglycine A
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** sulphate
+
** hypoglycin
−
** SO4-2
+
** L-β-(methylenecyclopropyl)-alanine
−
** SO42-
+
** 2-amino-3-(2-methylidenecyclopropyl)propanoic acid
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** SO4--
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[TransportSeed_SULFATE]]
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* [[RXN-9157]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ARYLSULFAT-RXN]]
 
−
* [[TransportSeed_SULFATE]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[FESO3OXI-RXN]]
 
−
* [[SULFATE-ADENYLYLTRANS-RXN]]
 
−
* [[ExchangeSeed_SULFATE]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 14808-79-8
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1117 1117]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244430 25244430]
−
* HMDB : HMDB01448
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* Wikipedia : Hypoglycin
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00059 C00059]
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** [http://www.genome.jp/dbget-bin/www_bget?C08287 C08287]
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* CHEMSPIDER:
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* HMDB : HMDB29427
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** [http://www.chemspider.com/Chemical-Structure.1085.html 1085]
+
{{#set: smiles=C=C1(C(CC([N+])C([O-])=O)C1)}}
−
* CHEBI:
+
{{#set: inchi key=InChIKey=OOJZCXFXPZGUBJ-UHFFFAOYSA-N}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16189 16189]
+
{{#set: common name=hypoglycin A}}
−
* METABOLIGHTS : MTBLC16189
+
{{#set: molecular weight=141.169   }}
−
{{#set: smiles=O=S(=O)([O-])[O-]}}
+
{{#set: common name=hypoglycine|hypoglycine A|hypoglycin|L-β-(methylenecyclopropyl)-alanine|2-amino-3-(2-methylidenecyclopropyl)propanoic acid}}
−
{{#set: inchi key=InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-L}}
+
{{#set: consumed by=RXN-9157}}
−
{{#set: common name=sulfate}}
+
−
{{#set: molecular weight=96.058   }}
+
−
{{#set: common name=sulfuric acid|H2SO4|sulphate|SO4-2|SO42-|SO4--}}
+
−
{{#set: consumed by=TransportSeed_SULFATE}}
+
−
{{#set: produced by=ARYLSULFAT-RXN|TransportSeed_SULFATE}}
+
−
{{#set: consumed or produced by=FESO3OXI-RXN|SULFATE-ADENYLYLTRANS-RXN|ExchangeSeed_SULFATE}}
+

Revision as of 21:27, 17 March 2018

Metabolite CPD-9699

  • smiles:
    • C=C1(C(CC([N+])C([O-])=O)C1)
  • inchi key:
    • InChIKey=OOJZCXFXPZGUBJ-UHFFFAOYSA-N
  • common name:
    • hypoglycin A
  • molecular weight:
    • 141.169
  • Synonym(s):
    • hypoglycine
    • hypoglycine A
    • hypoglycin
    • L-β-(methylenecyclopropyl)-alanine
    • 2-amino-3-(2-methylidenecyclopropyl)propanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • Wikipedia : Hypoglycin
  • LIGAND-CPD:
  • HMDB : HMDB29427
"C=C1(C(CC([N+])C([O-])=O)C1)" cannot be used as a page name in this wiki.



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