Difference between revisions of "3-OXOPIMELOYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] == * smiles: ** CC(O)(C(=O)[O-])CC(=O)[O-] * common name: ** (R)-citramalate * i...")
(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-])...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-31 CPD-31] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-OXOPIMELOYL-COA 3-OXOPIMELOYL-COA] ==
 
* smiles:
 
* smiles:
−
** CC(O)(C(=O)[O-])CC(=O)[O-]
+
** 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-]
 
* common name:
 
* common name:
−
** (R)-citramalate
+
** 3-oxopimeloyl-CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L
+
** InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
 
* molecular weight:
 
* molecular weight:
−
** 146.099    
+
** 918.632    
 
* Synonym(s):
 
* Synonym(s):
−
** (R)-2-methylmalic acid
+
** 3-oxopimelyl-CoA
−
** (3R)-citramalate
+
** 3-ketopimeloyl-CoA
−
** (3R)-citramalic acid
+
** 3-ketopimelyl-CoA
−
** (3R)-α-hydroxypyrotartaric acid
+
−
** D-citramalate
+
−
** D-citramalic acid
+
−
** D-α-hydroxypyrotartaric acid
+
−
** (R)-2-methylmalate
+
−
** (R)-(-)-citramalic acid
+
  
 
== 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 ==
−
* [[RXN-7743]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-8032]]
 
== External links  ==
 
== External links  ==
−
* CAS : 6236-10-8
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460281 5460281]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266579 45266579]
−
* CHEMSPIDER:
+
* HMDB : HMDB12158
−
** [http://www.chemspider.com/Chemical-Structure.4573870.html 4573870]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30934 30934]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57350 57350]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02612 C02612]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06715 C06715]
−
{{#set: smiles=CC(O)(C(=O)[O-])CC(=O)[O-]}}
+
{{#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: common name=(R)-citramalate}}
+
{{#set: common name=3-oxopimeloyl-CoA}}
−
{{#set: inchi key=InChIKey=XFTRTWQBIOMVPK-RXMQYKEDSA-L}}
+
{{#set: inchi key=InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I}}
−
{{#set: molecular weight=146.099   }}
+
{{#set: molecular weight=918.632   }}
−
{{#set: common name=(R)-2-methylmalic acid|(3R)-citramalate|(3R)-citramalic acid|(3R)-α-hydroxypyrotartaric acid|D-citramalate|D-citramalic acid|D-α-hydroxypyrotartaric acid|(R)-2-methylmalate|(R)-(-)-citramalic acid}}
+
{{#set: common name=3-oxopimelyl-CoA|3-ketopimeloyl-CoA|3-ketopimelyl-CoA}}
−
{{#set: produced by=RXN-7743}}
+
{{#set: reversible reaction associated=RXN-8032}}

Latest revision as of 21:07, 21 March 2018

Metabolite 3-OXOPIMELOYL-COA

  • 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-]
  • common name:
    • 3-oxopimeloyl-CoA
  • inchi key:
    • InChIKey=KJXFOFKTZDJLMQ-UYRKPTJQSA-I
  • molecular weight:
    • 918.632
  • Synonym(s):
    • 3-oxopimelyl-CoA
    • 3-ketopimeloyl-CoA
    • 3-ketopimelyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"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-" cannot be used as a page name in this wiki.



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