Difference between revisions of "THIAMINE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19155 CPD-19155] == * smiles: ** CCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=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)) * common name: **...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19155 CPD-19155] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=THIAMINE THIAMINE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
−
* inchi key:
+
−
** InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J
+
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
+
** thiamine
 +
* inchi key:
 +
** InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1015.898    
+
** 265.352    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-16:1-Δ9-CoA
+
** thiamin
−
** (S)-3-hydroxy-9-cis-hexadecenoyl-CoA
+
** vitamin B1
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17790]]
+
* [[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  ==
−
{{#set: smiles=CCCCCCC=CCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
* CAS : 67-03-8
−
{{#set: inchi key=InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J}}
+
* CAS : 59-43-8
−
{{#set: common name=(S)-3-hydroxy-(9Z)-hexadecenoyl-CoA}}
+
* BIGG : thm
−
{{#set: molecular weight=1015.898   }}
+
* DRUGBANK : DB00152
−
{{#set: common name=(S)-3-hydroxy-16:1-Δ9-CoA|(S)-3-hydroxy-9-cis-hexadecenoyl-CoA}}
+
* PUBCHEM:
−
{{#set: consumed by=RXN-17790}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1130 1130]
 +
* HMDB : HMDB00235
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C00378 C00378]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.1098.html 1098]
 +
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18385 18385]
 +
* METABOLIGHTS : MTBLC18385
 +
{{#set: smiles=CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))}}
 +
{{#set: common name=thiamine}}
 +
{{#set: inchi key=InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N}}
 +
{{#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}}

Latest revision as of 20:14, 21 March 2018

Metabolite THIAMINE

  • smiles:
    • CC1([N+](=CSC(CCO)=1)CC2(C=NC(C)=NC(N)=2))
  • common name:
    • thiamine
  • inchi key:
    • InChIKey=JZRWCGZRTZMZEH-UHFFFAOYSA-N
  • 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 : thm
  • 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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