Difference between revisions of "3-SULFINOALANINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARALDEHYDE COUMARALDEHYDE] == * smiles: ** C(=O)C=CC1(C=CC(O)=CC=1) * inchi key: ** InChIKe...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-SULFINOALANINE 3-SULFINOALANINE] == * smiles: ** C(C([N+])C(=O)[O-])S([O-])=O * inchi key: **...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARALDEHYDE COUMARALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-SULFINOALANINE 3-SULFINOALANINE] ==
 
* smiles:
 
* smiles:
** C(=O)C=CC1(C=CC(O)=CC=1)
+
** C(C([N+])C(=O)[O-])S([O-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N
+
** InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-M
 
* common name:
 
* common name:
** 4-coumaraldehyde
+
** 3-sulfinoalanine
 
* molecular weight:
 
* molecular weight:
** 148.161    
+
** 152.145    
 
* Synonym(s):
 
* Synonym(s):
** coumaraldehyde
+
** cysteine sulfinate
** p-coumaraldehyde
+
** cysteine sulphinate
 +
** L-cysteine sulfinate
 +
** 3-sulfino-L-alanine
 +
** L-cysteinesulfinic acid
 +
** 3-sulphino-L-alanine
 +
** cysteine-sulfinate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1102]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1101]]
+
* [[CYSTEINE-DIOXYGENASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[3-SULFINOALANINE-AMINOTRANSFERASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 1115-65-7
 +
* BIGG : 35482
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=641301 641301]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549097 1549097]
* HMDB : HMDB40986
+
* HMDB : HMDB60179
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05608 C05608]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00606 C00606]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.556592.html 556592]
+
** [http://www.chemspider.com/Chemical-Structure.1266064.html 1266064]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28353 28353]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61085 61085]
* METABOLIGHTS : MTBLC28353
+
* METABOLIGHTS : MTBLC61085
{{#set: smiles=C(=O)C=CC1(C=CC(O)=CC=1)}}
+
{{#set: smiles=C(C([N+])C(=O)[O-])S([O-])=O}}
{{#set: inchi key=InChIKey=CJXMVKYNVIGQBS-OWOJBTEDSA-N}}
+
{{#set: inchi key=InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-M}}
{{#set: common name=4-coumaraldehyde}}
+
{{#set: common name=3-sulfinoalanine}}
{{#set: molecular weight=148.161   }}
+
{{#set: molecular weight=152.145   }}
{{#set: common name=coumaraldehyde|p-coumaraldehyde}}
+
{{#set: common name=cysteine sulfinate|cysteine sulphinate|L-cysteine sulfinate|3-sulfino-L-alanine|L-cysteinesulfinic acid|3-sulphino-L-alanine|cysteine-sulfinate}}
{{#set: consumed by=RXN-1102}}
+
{{#set: produced by=CYSTEINE-DIOXYGENASE-RXN}}
{{#set: produced by=RXN-1101}}
+
{{#set: reversible reaction associated=3-SULFINOALANINE-AMINOTRANSFERASE-RXN}}

Latest revision as of 19:55, 21 March 2018

Metabolite 3-SULFINOALANINE

  • smiles:
    • C(C([N+])C(=O)[O-])S([O-])=O
  • inchi key:
    • InChIKey=ADVPTQAUNPRNPO-REOHCLBHSA-M
  • common name:
    • 3-sulfinoalanine
  • molecular weight:
    • 152.145
  • Synonym(s):
    • cysteine sulfinate
    • cysteine sulphinate
    • L-cysteine sulfinate
    • 3-sulfino-L-alanine
    • L-cysteinesulfinic acid
    • 3-sulphino-L-alanine
    • cysteine-sulfinate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 1115-65-7
  • BIGG : 35482
  • PUBCHEM:
  • HMDB : HMDB60179
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC61085
"C(C([N+])C(=O)[O-])S([O-])=O" cannot be used as a page name in this wiki.