Difference between revisions of "CHC 675"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXALACETIC_ACID OXALACETIC_ACID] == * smiles: ** C(C([O-])=O)C(=O)C([O-])=O * inchi key: ** InC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12118 CPD-12118] == * smiles: ** CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=OXALACETIC_ACID OXALACETIC_ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12118 CPD-12118] ==
 
* smiles:
 
* smiles:
−
** C(C([O-])=O)C(=O)C([O-])=O
+
** CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C
 
* inchi key:
 
* inchi key:
−
** InChIKey=KHPXUQMNIQBQEV-UHFFFAOYSA-L
+
** InChIKey=WJUVWMHFGHNQJZ-RNFPTGGASA-N
 
* common name:
 
* common name:
−
** oxaloacetate
+
** demethylmenaquinol-9
 
* molecular weight:
 
* molecular weight:
−
** 130.057    
+
** 773.236    
 
* Synonym(s):
 
* Synonym(s):
−
** keto-oxaloacetate
+
** DMKH2-9
−
** oxaloacetic acid
+
−
** oxalacetic acid
+
−
** oxalacetate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[MALATE-DEHYDROGENASE-NADP+-RXN]]
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* [[RXN-9205]]
−
* [[OXALODECARB-RXN]]
+
−
* [[BIOMASS-RXN]]
+
−
* [[CITSYN-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[PEPCARBOX-RXN]]
 
−
* [[ATP-CITRATE-PRO-S--LYASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13697]]
 
−
* [[ASPAMINOTRANS-RXN]]
 
−
* [[MALATE-DEH-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 328-42-7
 
−
* METABOLIGHTS : MTBLC16452
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=164550 164550]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45479709 45479709]
−
* HMDB : HMDB00223
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−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00036 C00036]
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−
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.144251.html 144251]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16452 16452]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=84542 84542]
−
* BIGG : oaa
+
{{#set: smiles=CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C}}
−
{{#set: smiles=C(C([O-])=O)C(=O)C([O-])=O}}
+
{{#set: inchi key=InChIKey=WJUVWMHFGHNQJZ-RNFPTGGASA-N}}
−
{{#set: inchi key=InChIKey=KHPXUQMNIQBQEV-UHFFFAOYSA-L}}
+
{{#set: common name=demethylmenaquinol-9}}
−
{{#set: common name=oxaloacetate}}
+
{{#set: molecular weight=773.236   }}
−
{{#set: molecular weight=130.057   }}
+
{{#set: common name=DMKH2-9}}
−
{{#set: common name=keto-oxaloacetate|oxaloacetic acid|oxalacetic acid|oxalacetate}}
+
{{#set: consumed by=RXN-9205}}
−
{{#set: consumed by=MALATE-DEHYDROGENASE-NADP+-RXN|OXALODECARB-RXN|BIOMASS-RXN|CITSYN-RXN}}
+
−
{{#set: produced by=PEPCARBOX-RXN|ATP-CITRATE-PRO-S--LYASE-RXN}}
+
−
{{#set: consumed or produced by=RXN-13697|ASPAMINOTRANS-RXN|MALATE-DEH-RXN}}
+

Revision as of 12:14, 18 January 2018

Metabolite CPD-12118

  • smiles:
    • CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C=C(O)C2(C=CC=CC(C(O)=1)=2)))C
  • inchi key:
    • InChIKey=WJUVWMHFGHNQJZ-RNFPTGGASA-N
  • common name:
    • demethylmenaquinol-9
  • molecular weight:
    • 773.236
  • Synonym(s):
    • DMKH2-9

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CHC_675&oldid=7128"