Difference between revisions of "RXN-10828"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8462 CPD-8462] == * smiles: ** CCCCCCCCCCCCCCC([O-])=O * common name: ** pentadecanoate * i...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8462 CPD-8462] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)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-]
+
** CCCCCCCCCCCCCCC([O-])=O
−
* inchi key:
+
−
** InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
+
 
* common name:
 
* common name:
−
** 3-oxopimeloyl-CoA
+
** pentadecanoate
 +
* inchi key:
 +
** InChIKey=WQEPLUUGTLDZJY-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 918.632    
+
** 241.393    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-oxopimelyl-CoA
+
** pentadecanoic acid
−
** 3-ketopimeloyl-CoA
+
−
** 3-ketopimelyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-476-CPD-388/NAD/WATER//CPD-8462/NADH/PROTON.40.]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-8032]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266579 45266579]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=22169126 22169126]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.11200786.html 11200786]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57350 57350]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=78795 78795]
−
* LIGAND-CPD:
+
{{#set: smiles=CCCCCCCCCCCCCCC([O-])=O}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C06715 C06715]
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{{#set: common name=pentadecanoate}}
−
* HMDB : HMDB12158
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{{#set: inchi key=InChIKey=WQEPLUUGTLDZJY-UHFFFAOYSA-M}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)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: molecular weight=241.393   }}
−
{{#set: inchi key=InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I}}
+
{{#set: common name=pentadecanoic acid}}
−
{{#set: common name=3-oxopimeloyl-CoA}}
+
{{#set: produced by=RXN66-476-CPD-388/NAD/WATER//CPD-8462/NADH/PROTON.40.}}
−
{{#set: molecular weight=918.632   }}
+
−
{{#set: common name=3-oxopimelyl-CoA|3-ketopimeloyl-CoA|3-ketopimelyl-CoA}}
+
−
{{#set: consumed or produced by=RXN-8032}}
+

Revision as of 17:08, 10 January 2018

Metabolite CPD-8462

  • smiles:
    • CCCCCCCCCCCCCCC([O-])=O
  • common name:
    • pentadecanoate
  • inchi key:
    • InChIKey=WQEPLUUGTLDZJY-UHFFFAOYSA-M
  • molecular weight:
    • 241.393
  • Synonym(s):
    • pentadecanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.



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