Difference between revisions of "2.5.1.58-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10806 CPD-10806] == * smiles: ** CCCCCC(O)[CH]=CC=O * inchi key: ** InChIKey=JVJFIQYAHPMBBX...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18490 CPD-18490] == * smiles: ** CCCCCC=CCC=CCC=CCC=CCCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10806 CPD-10806] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18490 CPD-18490] ==
 
* smiles:
 
* smiles:
** CCCCCC(O)[CH]=CC=O
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** CCCCCC=CCC=CCC=CCC=CCCCCCC=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=JVJFIQYAHPMBBX-FNORWQNLSA-N
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** InChIKey=AVRCOFDAWHWKMB-MNTHWFIHSA-J
 
* common name:
 
* common name:
** 4-hydroxy-2-nonenal
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** (2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 156.224    
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** 1104.05    
 
* Synonym(s):
 
* Synonym(s):
** 4HNE
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** (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13673]]
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* [[RXN-17111]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-17110]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
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{{#set: smiles=CCCCCC=CCC=CCC=CCC=CCCCCCC=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}}
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5283344 5283344]
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{{#set: inchi key=InChIKey=AVRCOFDAWHWKMB-MNTHWFIHSA-J}}
* CHEMSPIDER:
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{{#set: common name=(2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl-CoA}}
** [http://www.chemspider.com/Chemical-Structure.4446465.html 4446465]
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{{#set: molecular weight=1104.05   }}
* CHEBI:
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{{#set: common name=(2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=32585 32585]
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{{#set: consumed by=RXN-17111}}
* METABOLIGHTS : MTBLC32585
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{{#set: produced by=RXN-17110}}
* HMDB : HMDB04362
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{{#set: smiles=CCCCCC(O)[CH]=CC=O}}
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{{#set: inchi key=InChIKey=JVJFIQYAHPMBBX-FNORWQNLSA-N}}
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{{#set: common name=4-hydroxy-2-nonenal}}
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{{#set: molecular weight=156.224   }}
+
{{#set: common name=4HNE}}
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{{#set: consumed by=RXN-13673}}
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Revision as of 14:39, 21 March 2018

Metabolite CPD-18490

  • smiles:
    • CCCCCC=CCC=CCC=CCC=CCCCCCC=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=AVRCOFDAWHWKMB-MNTHWFIHSA-J
  • common name:
    • (2E,9Z,12Z,15Z,18Z)-tetracosa-2,9,12,15,18-pentaenoyl-CoA
  • molecular weight:
    • 1104.05
  • Synonym(s):
    • (2E,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CCC=CCC=CCCCCCC=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.