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=CPD-14419 CPD-14419] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19155 CPD-19155] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14419 CPD-14419] ==
 
* 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-]
+
** CCC=CCC=CCC=CCCCCCCCC(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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J
+
** InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-(9Z)-hexadecenoyl-CoA
+
** 3R-hydroxy-icosatrienoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 1015.898    
+
** 1067.974    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-16:1-Δ9-CoA
+
** 3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA
−
** (S)-3-hydroxy-9-cis-hexadecenoyl-CoA
+
** 3R-hydroxy-eicosatrienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17790]]
+
* [[RXN-13001]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12994]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== 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-]}}
+
* PUBCHEM:
−
{{#set: inchi key=InChIKey=ZIRSQPAPHGZDIL-VSCXGISKSA-J}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551536 72551536]
−
{{#set: common name=(S)-3-hydroxy-(9Z)-hexadecenoyl-CoA}}
+
* CHEBI:
−
{{#set: molecular weight=1015.898   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76455 76455]
−
{{#set: common name=(S)-3-hydroxy-16:1-Δ9-CoA|(S)-3-hydroxy-9-cis-hexadecenoyl-CoA}}
+
{{#set: smiles=CCC=CCC=CCC=CCCCCCCCC(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-]}}
−
{{#set: consumed by=RXN-17790}}
+
{{#set: inchi key=InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J}}
 +
{{#set: common name=3R-hydroxy-icosatrienoyl-CoA}}
 +
{{#set: molecular weight=1067.974   }}
 +
{{#set: common name=3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA|3R-hydroxy-eicosatrienoyl-CoA}}
 +
{{#set: consumed by=RXN-13001}}
 +
{{#set: produced by=RXN-12994}}

Revision as of 18:57, 18 March 2018

Metabolite CPD-14419

  • smiles:
    • CCC=CCC=CCC=CCCCCCCCC(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-]
  • inchi key:
    • InChIKey=AUKMTTJFPKEFDQ-IVICTRQZSA-J
  • common name:
    • 3R-hydroxy-icosatrienoyl-CoA
  • molecular weight:
    • 1067.974
  • Synonym(s):
    • 3R-hydroxy-(9Z,12Z,15Z)-octadecatrienoyl-CoA
    • 3R-hydroxy-eicosatrienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCCCCCCCC(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-" cannot be used as a page name in this wiki.




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