Difference between revisions of "CPD-14276"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] == * smiles: ** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-] * inchi key: ** InChIKey=KRKNYBC...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14276 CPD-14276] == * smiles: ** CCCCCCCCCCCCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP(...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CIT CIT] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14276 CPD-14276] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
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** CCCCCCCCCCCCCCCCCCCC(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:
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** InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
+
 
* common name:
 
* common name:
** citrate
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** (3R)-3-hydroxy-behenoyl-CoA
 +
* inchi key:
 +
** InChIKey=VNJQSRVXTRJVAZ-ZUIQSSPPSA-J
 
* molecular weight:
 
* molecular weight:
** 189.101    
+
** 1102.075    
 
* Synonym(s):
 
* Synonym(s):
** citr
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** (3R)-3-hydroxy-docosanoyl-CoA
** cit
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** citric acid
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** 2-hydroxy-1,2,3-propanetricarboxylic acid
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13303]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[CSm]]
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* [[RXN-13299]]
* [[CSx]]
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* [[CITSYN-RXN]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14047]]
 
* [[OAACITtm]]
 
* [[AKGCITtm]]
 
* [[ACONITATEDEHYDR-RXN]]
 
 
== External links  ==
 
== External links  ==
* CAS : 77-92-9
 
* METABOLIGHTS : MTBLC16947
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=31348 31348]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72193817 72193817]
* KNAPSACK : C00007619
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* HMDB : HMDB00094
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00158 C00158]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.29081.html 29081]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16947 16947]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76375 76375]
* BIGG : cit
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{{#set: smiles=CCCCCCCCCCCCCCCCCCCC(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-])CC(C(=O)[O-])(O)CC(=O)[O-]}}
+
{{#set: common name=(3R)-3-hydroxy-behenoyl-CoA}}
{{#set: inchi key=InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K}}
+
{{#set: inchi key=InChIKey=VNJQSRVXTRJVAZ-ZUIQSSPPSA-J}}
{{#set: common name=citrate}}
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{{#set: molecular weight=1102.075   }}
{{#set: molecular weight=189.101   }}
+
{{#set: common name=(3R)-3-hydroxy-docosanoyl-CoA}}
{{#set: common name=citr|cit|citric acid|2-hydroxy-1,2,3-propanetricarboxylic acid}}
+
{{#set: consumed by=RXN-13303}}
{{#set: produced by=CSm|CSx|CITSYN-RXN}}
+
{{#set: produced by=RXN-13299}}
{{#set: consumed or produced by=RXN-14047|OAACITtm|AKGCITtm|ACONITATEDEHYDR-RXN}}
+

Latest revision as of 19:50, 21 March 2018

Metabolite CPD-14276

  • smiles:
    • CCCCCCCCCCCCCCCCCCCC(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-behenoyl-CoA
  • inchi key:
    • InChIKey=VNJQSRVXTRJVAZ-ZUIQSSPPSA-J
  • molecular weight:
    • 1102.075
  • Synonym(s):
    • (3R)-3-hydroxy-docosanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCCCCCCCCCCCCCCC(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.