Difference between revisions of "Tiso gene 11850"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-641 CPD-641] == * smiles: ** CC(O)(CCOP(=O)([O-])OP([O-])([O-])=O)CC(=O)[O-] * inchi key: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THIAMINE THIAMINE] == * smiles: ** CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2)) * inchi key: ** I...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-641 CPD-641] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THIAMINE THIAMINE] ==
 
* smiles:
 
* smiles:
−
** CC(O)(CCOP(=O)([O-])OP([O-])([O-])=O)CC(=O)[O-]
+
** CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=SIGQQUBJQXSAMW-ZCFIWIBFSA-J
+
** InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** (R)-mevalonate diphosphate
+
** thiamine
 
* molecular weight:
 
* molecular weight:
−
** 304.087    
+
** 265.352    
 
* Synonym(s):
 
* Synonym(s):
−
** mevalonate-5-PP
+
** thiamin
−
** (R)-5-diphosphomevalonate
+
** vitamin B1
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[DIPHOSPHOMEVALONTE-DECARBOXYLASE-RXN]]
+
* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
 +
* [[TransportSeed_THIAMINE]]
 +
* [[TMDPT]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[TransportSeed_THIAMINE]]
 +
* [[RXNQT-4191]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ExchangeSeed_THIAMINE]]
 
== External links  ==
 
== External links  ==
−
* CAS : 4872-34-8
+
* CAS : 67-03-8
 +
* CAS : 59-43-8
 +
* METABOLIGHTS : MTBLC18385
 +
* DRUGBANK : DB00152
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=24916915 24916915]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1130 1130]
−
* CHEBI:
+
* HMDB : HMDB00235
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57557 57557]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01143 C01143]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00378 C00378]
−
* HMDB : HMDB01090
+
* CHEMSPIDER:
−
{{#set: smiles=CC(O)(CCOP(=O)([O-])OP([O-])([O-])=O)CC(=O)[O-]}}
+
** [http://www.chemspider.com/Chemical-Structure.1098.html 1098]
−
{{#set: inchi key=InChIKey=SIGQQUBJQXSAMW-ZCFIWIBFSA-J}}
+
* CHEBI:
−
{{#set: common name=(R)-mevalonate diphosphate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18385 18385]
−
{{#set: molecular weight=304.087   }}
+
* BIGG : thm
−
{{#set: common name=mevalonate-5-PP|(R)-5-diphosphomevalonate}}
+
{{#set: smiles=CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))}}
−
{{#set: consumed by=DIPHOSPHOMEVALONTE-DECARBOXYLASE-RXN}}
+
{{#set: inchi key=InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N}}
 +
{{#set: common name=thiamine}}
 +
{{#set: molecular weight=265.352   }}
 +
{{#set: common name=thiamin|vitamin B1}}
 +
{{#set: consumed by=THIAMIN-PYROPHOSPHOKINASE-RXN|TransportSeed_THIAMINE|TMDPT}}
 +
{{#set: produced by=TransportSeed_THIAMINE|RXNQT-4191}}
 +
{{#set: reversible reaction associated=ExchangeSeed_THIAMINE}}

Revision as of 19:54, 18 March 2018

Metabolite THIAMINE

  • smiles:
    • CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
  • inchi key:
    • InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
  • common name:
    • thiamine
  • molecular weight:
    • 265.352
  • Synonym(s):
    • thiamin
    • vitamin B1

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 67-03-8
  • CAS : 59-43-8
  • METABOLIGHTS : MTBLC18385
  • DRUGBANK : DB00152
  • PUBCHEM:
  • HMDB : HMDB00235
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • BIGG : thm
"CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))" cannot be used as a page name in this wiki.




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