Difference between revisions of "CPD-11528"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STEAROYL-COA STEAROYL-COA] == * smiles: ** CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11528 CPD-11528] == * smiles: ** CCC=CCC4(C(=O)CCC(CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)...")
 
(3 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STEAROYL-COA STEAROYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11528 CPD-11528] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCC(=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
+
** CCC=CCC4(C(=O)CCC(CC(=O)CC(=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-])4)
−
* inchi key:
+
−
** InChIKey=SIARJEKBADXQJG-LFZQUHGESA-J
+
 
* common name:
 
* common name:
−
** stearoyl-CoA
+
** OPC4-3-ketoacyl-CoA
 +
* inchi key:
 +
** InChIKey=QGJLCXXJEFRWHP-BUMUVWNNSA-J
 
* molecular weight:
 
* molecular weight:
−
** 1029.968    
+
** 997.797    
 
* Synonym(s):
 
* Synonym(s):
−
** Stearoyl-CoA (n-C18:0CoA)
 
−
** stearyl-CoA
 
−
** stearyl coenzyme A
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9624]]
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* [[RXN-10701]]
−
* [[RXN-13294]]
+
−
* [[1.14.19.1-RXN]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN3O-5304]]
+
* [[RXN-10703]]
−
* [[RXN-16380]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 362-66-3
 
−
* METABOLIGHTS : MTBLC57394
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266614 45266614]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237346 44237346]
−
* HMDB : HMDB01114
+
{{#set: smiles=CCC=CCC4(C(=O)CCC(CC(=O)CC(=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-])4)}}
−
* LIGAND-CPD:
+
{{#set: common name=OPC4-3-ketoacyl-CoA}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00412 C00412]
+
{{#set: inchi key=InChIKey=QGJLCXXJEFRWHP-BUMUVWNNSA-J}}
−
* CHEBI:
+
{{#set: molecular weight=997.797   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57394 57394]
+
{{#set: consumed by=RXN-10701}}
−
* BIGG : stcoa
+
{{#set: produced by=RXN-10703}}
−
{{#set: smiles=CCCCCCCCCCCCCCCCCC(=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: inchi key=InChIKey=SIARJEKBADXQJG-LFZQUHGESA-J}}
+
−
{{#set: common name=stearoyl-CoA}}
+
−
{{#set: molecular weight=1029.968   }}
+
−
{{#set: common name=Stearoyl-CoA (n-C18:0CoA)|stearyl-CoA|stearyl coenzyme A}}
+
−
{{#set: consumed by=RXN-9624|RXN-13294|1.14.19.1-RXN}}
+
−
{{#set: produced by=RXN3O-5304|RXN-16380}}
+

Latest revision as of 20:14, 21 March 2018

Metabolite CPD-11528

  • smiles:
    • CCC=CCC4(C(=O)CCC(CC(=O)CC(=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-])4)
  • common name:
    • OPC4-3-ketoacyl-CoA
  • inchi key:
    • InChIKey=QGJLCXXJEFRWHP-BUMUVWNNSA-J
  • molecular weight:
    • 997.797
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC4(C(=O)CCC(CC(=O)CC(=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-])4)" cannot be used as a page name in this wiki.



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