Difference between revisions of "Ec-14 001350"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] == * smiles: ** CCCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FUM FUM] == * smiles: ** C(C([O-])=O)=CC(=O)[O-] * inchi key: ** InChIKey=VZCYOOQTPOCHFL-OWOJBT...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=K-HEXANOYL-COA K-HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FUM FUM] ==
 
* smiles:
 
* smiles:
−
** CCCC(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)=O
+
** C(C([O-])=O)=CC(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J
+
** InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-L
 
* common name:
 
* common name:
−
** 3-oxohexanoyl-CoA
+
** fumarate
 
* molecular weight:
 
* molecular weight:
−
** 875.63    
+
** 114.057    
 
* Synonym(s):
 
* Synonym(s):
−
** ketohexanoyl-CoA
+
** fum
−
** β-hexanoyl-CoA
+
** fumaric acid
−
** ketohexanoyl-coenzyme-A
+
−
** 3-ketohexanoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-12570]]
+
* [[RXN0-5245]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-12565]]
+
* [[RXN-15378]]
 +
* [[SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN]]
 +
* [[RXN-14971]]
 +
* [[RXN-22]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ARGSUCCINLYA-RXN]]
 +
* [[FUMARATE-REDUCTASE-NADH-RXN]]
 +
* [[FUMHYDR-RXN]]
 +
* [[AICARSYN-RXN]]
 +
* [[AMPSYN-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 19774-86-8
+
* CAS : 110-17-8
−
* BIGG : 45468
+
* BIGG : 33938
 +
* DRUGBANK : DB01677
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53239804 53239804]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460307 5460307]
−
* HMDB : HMDB03943
+
* KNAPSACK : C00001183
 +
* HMDB : HMDB00134
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05269 C05269]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00122 C00122]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4573886.html 4573886]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62418 62418]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29806 29806]
−
* METABOLIGHTS : MTBLC27648
+
* METABOLIGHTS : MTBLC29806
−
{{#set: smiles=CCCC(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)=O}}
+
{{#set: smiles=C(C([O-])=O)=CC(=O)[O-]}}
−
{{#set: inchi key=InChIKey=NFOYYXQAVVYWKV-HDRQGHTBSA-J}}
+
{{#set: inchi key=InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-L}}
−
{{#set: common name=3-oxohexanoyl-CoA}}
+
{{#set: common name=fumarate}}
−
{{#set: molecular weight=875.63   }}
+
{{#set: molecular weight=114.057   }}
−
{{#set: common name=ketohexanoyl-CoA|β-hexanoyl-CoA|ketohexanoyl-coenzyme-A|3-ketohexanoyl-CoA}}
+
{{#set: common name=fum|fumaric acid}}
−
{{#set: consumed by=RXN-12570}}
+
{{#set: consumed by=RXN0-5245}}
−
{{#set: produced by=RXN-12565}}
+
{{#set: produced by=RXN-15378|SUCCINATE-DEHYDROGENASE-UBIQUINONE-RXN|RXN-14971|RXN-22}}
 +
{{#set: reversible reaction associated=ARGSUCCINLYA-RXN|FUMARATE-REDUCTASE-NADH-RXN|FUMHYDR-RXN|AICARSYN-RXN|AMPSYN-RXN}}

Revision as of 21:07, 17 March 2018

Metabolite FUM

  • smiles:
    • C(C([O-])=O)=CC(=O)[O-]
  • inchi key:
    • InChIKey=VZCYOOQTPOCHFL-OWOJBTEDSA-L
  • common name:
    • fumarate
  • molecular weight:
    • 114.057
  • Synonym(s):
    • fum
    • fumaric acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 110-17-8
  • BIGG : 33938
  • DRUGBANK : DB01677
  • PUBCHEM:
  • KNAPSACK : C00001183
  • HMDB : HMDB00134
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC29806
"C(C([O-])=O)=CC(=O)[O-" cannot be used as a page name in this wiki.




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