Difference between revisions of "P184-PWY"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8847 CPD-8847] == * smiles: ** C=CC(C)=O * common name: ** but-1-en-3-one * inchi key: ** I...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11518 CPD-11518] == * smiles: ** CCC=CCC4(C(=O)CCC(CCCCCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)CO...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8847 CPD-8847] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11518 CPD-11518] ==
 
* smiles:
 
* smiles:
** C=CC(C)=O
+
** CCC=CCC4(C(=O)CCC(CCCCCC=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)4)
* common name:
+
** but-1-en-3-one
+
 
* inchi key:
 
* inchi key:
** InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N
+
** InChIKey=WDBPMRZYBZCIQE-WCBSGRPJSA-J
 +
* common name:
 +
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-2-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 70.091    
+
** 1037.905    
 
* Synonym(s):
 
* Synonym(s):
** methyl vinyl ketone
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** OPC8-trans-2-enoyl-CoA
** 3-buten-2-one
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** 1-buten-3-one
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** but-3-en-2-one
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** 3-oxo-1-butene
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12293]]
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* [[RXN-10697]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8619]]
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* [[RXN-10696]]
* [[RXN-8620]]
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* [[RXN-11911]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C20701 C20701]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.6322.html 6322]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48058 48058]
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6570 6570]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237209 44237209]
{{#set: smiles=C=CC(C)=O}}
+
{{#set: smiles=CCC=CCC4(C(=O)CCC(CCCCCC=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)4)}}
{{#set: common name=but-1-en-3-one}}
+
{{#set: inchi key=InChIKey=WDBPMRZYBZCIQE-WCBSGRPJSA-J}}
{{#set: inchi key=InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N}}
+
{{#set: common name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-2-enoyl-CoA}}
{{#set: molecular weight=70.091   }}
+
{{#set: molecular weight=1037.905   }}
{{#set: common name=methyl vinyl ketone|3-buten-2-one|1-buten-3-one|but-3-en-2-one|3-oxo-1-butene}}
+
{{#set: common name=OPC8-trans-2-enoyl-CoA}}
{{#set: consumed by=RXN-12293}}
+
{{#set: consumed by=RXN-10697}}
{{#set: produced by=RXN-8619|RXN-8620|RXN-11911}}
+
{{#set: produced by=RXN-10696}}

Revision as of 12:31, 18 January 2018

Metabolite CPD-11518

  • smiles:
    • CCC=CCC4(C(=O)CCC(CCCCCC=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)4)
  • inchi key:
    • InChIKey=WDBPMRZYBZCIQE-WCBSGRPJSA-J
  • common name:
    • 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octa-2-enoyl-CoA
  • molecular weight:
    • 1037.905
  • Synonym(s):
    • OPC8-trans-2-enoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC4(C(=O)CCC(CCCCCC=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)4)" cannot be used as a page name in this wiki.