Difference between revisions of "THIAMINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MI-HEXAKISPHOSPHATE MI-HEXAKISPHOSPHATE] == * smiles: ** C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-...")
(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...")
 
(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=MI-HEXAKISPHOSPHATE MI-HEXAKISPHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THIAMINE THIAMINE] ==
 
* smiles:
 
* smiles:
−
** C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)
+
** CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
 
* inchi key:
 
* inchi key:
−
** InChIKey=IMQLKJBTEOYOSI-GPIVLXJGSA-B
+
** InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** phytate
+
** thiamine
 
* molecular weight:
 
* molecular weight:
−
** 647.942    
+
** 265.352    
 
* Synonym(s):
 
* Synonym(s):
−
** phytic acid
+
** thiamin
−
** 1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate
+
** vitamin B1
−
** myo-inositol hexakisphosphate
+
−
** D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate
+
−
** myo-Inositol 1,2,3,4,5,6-hexakisphosphate
+
−
** Inositol 1,2,3,4,5,6-hexakisphosphate
+
−
** InsP6
+
−
** 1D-myo-Inositol hexakisphosphate
+
−
** IP6
+
−
** inositol hexaphosphate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[THIAMIN-PYROPHOSPHOKINASE-RXN]]
 +
* [[TransportSeed_THIAMINE]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-7163]]
+
* [[TransportSeed_THIAMINE]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ExchangeSeed_THIAMINE]]
 
== External links  ==
 
== External links  ==
−
* BIGG : 37070
+
* CAS : 67-03-8
 +
* CAS : 59-43-8
 +
* BIGG : 34804
 +
* DRUGBANK : DB00152
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21584050 21584050]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1130 1130]
−
* HMDB : HMDB03502
+
* HMDB : HMDB00235
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01204 C01204]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00378 C00378]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.10618952.html 10618952]
+
** [http://www.chemspider.com/Chemical-Structure.1098.html 1098]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58130 58130]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18385 18385]
−
* METABOLIGHTS : MTBLC58130
+
* METABOLIGHTS : MTBLC18385
−
{{#set: smiles=C1(OP([O-])([O-])=O)(C(OP([O-])(=O)[O-])C(OP([O-])(=O)[O-])C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(OP([O-])([O-])=O)1)}}
+
{{#set: smiles=CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))}}
−
{{#set: inchi key=InChIKey=IMQLKJBTEOYOSI-GPIVLXJGSA-B}}
+
{{#set: inchi key=InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N}}
−
{{#set: common name=phytate}}
+
{{#set: common name=thiamine}}
−
{{#set: molecular weight=647.942   }}
+
{{#set: molecular weight=265.352   }}
−
{{#set: common name=phytic acid|1D-myo-inositol 1,2,3,4,5,6-hexakisphosphate|myo-inositol hexakisphosphate|D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|myo-Inositol 1,2,3,4,5,6-hexakisphosphate|Inositol 1,2,3,4,5,6-hexakisphosphate|InsP6|1D-myo-Inositol hexakisphosphate|IP6|inositol hexaphosphate}}
+
{{#set: common name=thiamin|vitamin B1}}
−
{{#set: produced by=RXN-7163}}
+
{{#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.




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