Difference between revisions of "CPD-14278"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] == * smiles: ** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14278 CPD-14278] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=4-MALEYL-ACETOACETATE 4-MALEYL-ACETOACETATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14278 CPD-14278] ==
 
* smiles:
 
* smiles:
** C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
+
** CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
* inchi key:
+
** InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L
+
 
* common name:
 
* common name:
** 4-maleyl-acetoacetate
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** (3R)-3-hydroxy-cerotoyl-CoA
 +
* inchi key:
 +
** InChIKey=GBMJOTOUUWGTIA-CSLACTSSSA-J
 
* molecular weight:
 
* molecular weight:
** 198.132    
+
** 1158.182    
 
* Synonym(s):
 
* Synonym(s):
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13305]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[HGDO]]
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* [[RXN-13301]]
* [[HOMOGENTISATE-12-DIOXYGENASE-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460066 5460066]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193759 72193759]
* HMDB : HMDB02052
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C01036 C01036]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573741.html 4573741]
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* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17105 17105]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76378 76378]
* METABOLIGHTS : MTBLC17105
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{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
{{#set: smiles=C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O}}
+
{{#set: common name=(3R)-3-hydroxy-cerotoyl-CoA}}
{{#set: inchi key=InChIKey=GACSIVHAIFQKTC-UPHRSURJSA-L}}
+
{{#set: inchi key=InChIKey=GBMJOTOUUWGTIA-CSLACTSSSA-J}}
{{#set: common name=4-maleyl-acetoacetate}}
+
{{#set: molecular weight=1158.182   }}
{{#set: molecular weight=198.132   }}
+
{{#set: consumed by=RXN-13305}}
{{#set: produced by=HGDO|HOMOGENTISATE-12-DIOXYGENASE-RXN}}
+
{{#set: produced by=RXN-13301}}

Latest revision as of 21:25, 21 March 2018

Metabolite CPD-14278

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
  • common name:
    • (3R)-3-hydroxy-cerotoyl-CoA
  • inchi key:
    • InChIKey=GBMJOTOUUWGTIA-CSLACTSSSA-J
  • molecular weight:
    • 1158.182
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.