Difference between revisions of "RXN-18208"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19491 CPD-19491] == * smiles: ** C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-] * inchi key: ** InChIKey...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15568 CPD-15568] == * smiles: ** CCCCCCCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19491 CPD-19491] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15568 CPD-15568] ==
 
* smiles:
 
* smiles:
** C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]
+
** CCCCCCCCCCCC=CC(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-])=O
 
* inchi key:
 
* inchi key:
** InChIKey=WRGKTDWHJSBCJR-UHFFFAOYSA-L
+
** InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J
 
* common name:
 
* common name:
** 3-isopropyl-6-(methylthio)-2-oxohexanoate
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** 2-trans-tetradecenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 218.224    
+
** 971.845    
 
* Synonym(s):
 
* Synonym(s):
 +
** (2E)-tetradecenoyl-CoA
 +
** trans-tetradec-2-enoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-18209]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-14131]]
 +
* [[ACOA140or]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-18208]]
 
 
== External links  ==
 
== External links  ==
{{#set: smiles=C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=WRGKTDWHJSBCJR-UHFFFAOYSA-L}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05273 C05273]
{{#set: common name=3-isopropyl-6-(methylthio)-2-oxohexanoate}}
+
* CHEBI:
{{#set: molecular weight=218.224   }}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61405 61405]
{{#set: consumed by=RXN-18209}}
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* METABOLIGHTS : MTBLC61405
{{#set: consumed or produced by=RXN-18208}}
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173185 46173185]
 +
* HMDB : HMDB03946
 +
{{#set: smiles=CCCCCCCCCCCC=CC(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-])=O}}
 +
{{#set: inchi key=InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J}}
 +
{{#set: common name=2-trans-tetradecenoyl-CoA}}
 +
{{#set: molecular weight=971.845   }}
 +
{{#set: common name=(2E)-tetradecenoyl-CoA|trans-tetradec-2-enoyl-CoA}}
 +
{{#set: produced by=RXN-14131|ACOA140or}}

Revision as of 18:49, 18 March 2018

Metabolite CPD-15568

  • smiles:
    • CCCCCCCCCCCC=CC(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-])=O
  • inchi key:
    • InChIKey=MBCVYCOKMMMWLX-YYMFEJJQSA-J
  • common name:
    • 2-trans-tetradecenoyl-CoA
  • molecular weight:
    • 971.845
  • Synonym(s):
    • (2E)-tetradecenoyl-CoA
    • trans-tetradec-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC61405
  • PUBCHEM:
  • HMDB : HMDB03946
"CCCCCCCCCCCC=CC(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-])=O" cannot be used as a page name in this wiki.