Difference between revisions of "CPD-14274"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRYL-COA BUTYRYL-COA] == * smiles: ** CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14274 CPD-14274] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTYRYL-COA BUTYRYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14274 CPD-14274] ==
 
* smiles:
 
* smiles:
** CCCC(=O)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-]
+
** 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:
 
* common name:
** butanoyl-CoA
+
** 3-oxo-cerotoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J
+
** InChIKey=VOMUIFOBQMYJPJ-CPIGOPAHSA-J
 
* molecular weight:
 
* molecular weight:
** 833.593    
+
** 1156.166    
 
* Synonym(s):
 
* Synonym(s):
** butyryl-CoA
+
** 3-oxohexacosanoyl-CoA
** butyryl-coenzyme A
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12565]]
+
* [[RXN-13301]]
* [[ACOA40or]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BNorh]]
+
* [[RXN-13296]]
* [[BNor]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14193]]
 
* [[BCor]]
 
 
== External links  ==
 
== External links  ==
* UM-BBD-CPD : c0023
 
* CAS : 2140-48-9
 
* BIGG : btcoa
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244513 25244513]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581082 71581082]
* HMDB : HMDB01088
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00136 C00136]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57371 57371]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73980 73980]
* METABOLIGHTS : MTBLC57371
+
{{#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=CCCC(=O)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-]}}
+
{{#set: common name=3-oxo-cerotoyl-CoA}}
{{#set: common name=butanoyl-CoA}}
+
{{#set: inchi key=InChIKey=VOMUIFOBQMYJPJ-CPIGOPAHSA-J}}
{{#set: inchi key=InChIKey=CRFNGMNYKDXRTN-HDRJHVAISA-J}}
+
{{#set: molecular weight=1156.166   }}
{{#set: molecular weight=833.593   }}
+
{{#set: common name=3-oxohexacosanoyl-CoA}}
{{#set: common name=butyryl-CoA|butyryl-coenzyme A}}
+
{{#set: consumed by=RXN-13301}}
{{#set: consumed by=RXN-12565|ACOA40or}}
+
{{#set: produced by=RXN-13296}}
{{#set: produced by=BNorh|BNor}}
+
{{#set: reversible reaction associated=RXN-14193|BCor}}
+

Latest revision as of 19:47, 21 March 2018

Metabolite CPD-14274

  • 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:
    • 3-oxo-cerotoyl-CoA
  • inchi key:
    • InChIKey=VOMUIFOBQMYJPJ-CPIGOPAHSA-J
  • molecular weight:
    • 1156.166
  • Synonym(s):
    • 3-oxohexacosanoyl-CoA

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.