Difference between revisions of "THIAMINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-30 CPD-30] == * smiles: ** CC(NCCC[CH]=O)=O * inchi key: ** InChIKey=DDSLGZOYEPKPSJ-UHFFFAO...")
(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-30 CPD-30] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THIAMINE THIAMINE] ==
 
* smiles:
 
* smiles:
** CC(NCCC[CH]=O)=O
+
** CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
 
* inchi key:
 
* inchi key:
** InChIKey=DDSLGZOYEPKPSJ-UHFFFAOYSA-N
+
** InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
 
* common name:
 
* common name:
** 4-acetamidobutanal
+
** thiamine
 
* molecular weight:
 
* molecular weight:
** 129.158    
+
** 265.352    
 
* Synonym(s):
 
* Synonym(s):
** N-acetyl-γ-aminobutyraldehyde
+
** thiamin
** N-acetyl-4-aminobutanal
+
** vitamin B1
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-37]]
+
* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
 +
* [[TransportSeed_THIAMINE]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[TransportSeed_THIAMINE]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ExchangeSeed_THIAMINE]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 67-03-8
 +
* CAS : 59-43-8
 +
* BIGG : 34804
 +
* DRUGBANK : DB00152
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=440850 440850]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1130 1130]
* HMDB : HMDB04226
+
* HMDB : HMDB00235
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05936 C05936]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00378 C00378]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.389692.html 389692]
+
** [http://www.chemspider.com/Chemical-Structure.1098.html 1098]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7386 7386]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18385 18385]
* METABOLIGHTS : MTBLC7386
+
* METABOLIGHTS : MTBLC18385
{{#set: smiles=CC(NCCC[CH]=O)=O}}
+
{{#set: smiles=CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))}}
{{#set: inchi key=InChIKey=DDSLGZOYEPKPSJ-UHFFFAOYSA-N}}
+
{{#set: inchi key=InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N}}
{{#set: common name=4-acetamidobutanal}}
+
{{#set: common name=thiamine}}
{{#set: molecular weight=129.158   }}
+
{{#set: molecular weight=265.352   }}
{{#set: common name=N-acetyl-γ-aminobutyraldehyde|N-acetyl-4-aminobutanal}}
+
{{#set: common name=thiamin|vitamin B1}}
{{#set: consumed by=RXN-37}}
+
{{#set: consumed by=THIAMIN-PYROPHOSPHOKINASE-RXN|TransportSeed_THIAMINE}}
 +
{{#set: produced by=TransportSeed_THIAMINE}}
 +
{{#set: reversible reaction associated=ExchangeSeed_THIAMINE}}

Latest revision as of 19:51, 21 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
  • BIGG : 34804
  • DRUGBANK : DB00152
  • PUBCHEM:
  • HMDB : HMDB00235
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC18385
"CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))" cannot be used as a page name in this wiki.